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Letrozole

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Identification
Molecular formula
C17H11ClN4
CAS number
112809-51-5
IUPAC name
1-(4-carbamimidoylphenyl)-3-(4-chlorophenyl)urea
State
State

Letrozole is typically in a solid state at room temperature, being a crystalline powder. It is not volatile and remains as a stable compound under normal conditions.

Melting point (Celsius)
184.00
Melting point (Kelvin)
457.15
Boiling point (Celsius)
738.70
Boiling point (Kelvin)
1 011.85
General information
Molecular weight
258.15g/mol
Molar mass
258.6670g/mol
Density
1.2700g/cm3
Appearence

Letrozole typically appears as a white to yellowish crystalline powder, which is practically insoluble in water but soluble in organic solvents such as ethanol and methanol. Its crystalline nature corresponds with its solid state under standard conditions.

Comment on solubility

Solubility Overview

The solubility of the compound 1-(4-carbamimidoylphenyl)-3-(4-chlorophenyl)urea (C17H11ClN4) can be intriguing due to its structural characteristics. The solubility of a compound typically depends on its interactions with solvents, which can vary significantly based on functional groups present and their ability to form hydrogen bonds.

Key Factors Influencing Solubility:

  • Polarity: The presence of polar functional groups, such as carbamimidoyl and urea, suggests it may exhibit some degree of polarity, enhancing its solubility in polar solvents like water.
  • Hydrogen Bonding: This compound has the potential to engage in hydrogen bonding due to the presence of the urea functional group, which might increase its solubility in appropriate solvents.
  • Chlorine Substitution: The chlorine atom can alter the compound's solubility by impacting the overall hydrophobic and hydrophilic balance, possibly resulting in variable solubility across different organic solvents.

In general, compounds with similar structures can often exhibit diverse solubility profiles, owing to the differing nature of solvent molecules. As a rule of thumb: “like dissolves like.” Therefore, one might expect that this compound could be soluble in solvents with similar polarity to its structure.

Conclusion:

In summary, while the precise solubility of 1-(4-carbamimidoylphenyl)-3-(4-chlorophenyl)urea in various solvents requires empirical investigation, its chemical structure suggests a likely solubility in polar solvents due to potential hydrogen bonding capabilities.
Understanding the solubility can be critical for its applications in pharmaceuticals and chemical research.

Interesting facts

Interesting Facts about 1-(4-carbamimidoylphenyl)-3-(4-chlorophenyl)urea

1-(4-carbamimidoylphenyl)-3-(4-chlorophenyl)urea is a fascinating compound that has captured the interest of chemists due to its unique structure and potential applications. Here are some intriguing aspects of this compound:

  • Pharmacological Potential: This molecule has garnered attention in medicinal chemistry as a potential therapeutic agent. Its structural features suggest it may interact with various biological targets, making it a candidate for further investigation in drug development.
  • Structural Complexity: The compound features a urea moiety combined with both a chlorophenyl and a carbamimidoyl group. This complexity provides rich opportunities for studying its chemical behavior and interaction with other molecules.
  • Chlorine Substitution: The presence of the chlorine atom can significantly influence the compound's reactivity and bioactivity. Chlorine often enhances the lipophilicity of compounds, potentially improving their pharmacokinetic properties.
  • Research Applications: The unique combination of functional groups in this compound encourages its exploration in various fields, including agrochemicals, where it may serve as a pesticide or herbicide.
  • Synthesis Interest: The synthesis of 1-(4-carbamimidoylphenyl)-3-(4-chlorophenyl)urea presents intriguing challenges and opportunities for chemists, as it allows for the exploration of new synthetic pathways and methodologies in organic chemistry.

As noted by chemists, "The exploration of novel compounds like 1-(4-carbamimidoylphenyl)-3-(4-chlorophenyl)urea is essential for advancing our understanding of chemical interactions and developing new technologies." This compound stands out as a testament to the core principle of chemistry: that the combination of different elements can lead to groundbreaking discoveries.

Synonyms
1-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREA
C14H13ClN4O
162021-00-3
DTXSID80274348
1-(4-carbamimidoylphenyl)-3-(4-chlorophenyl)urea
ACPU, urea
DB04336
SCHEMBL4311708
DTXCID10225828
GP6
PD006296
NS00068986
3-(4-carbamimidoylphenyl)-1-(4-chlorophenyl)urea
Q27095150
4-{[(4-chlorophenyl)carbamoyl]amino}benzenecarboximidamide