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Tadalafil

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Identification
Molecular formula
C22H19N3O4
CAS number
171596-29-5
IUPAC name
5-[3-(dimethylamino)propyl]-8-nitro-benzo[b][1,4]benzoxazepin-6-one
State
State

At room temperature, tadalafil is found in a solid state.

Melting point (Celsius)
298.00
Melting point (Kelvin)
571.10
Boiling point (Celsius)
783.10
Boiling point (Kelvin)
1 056.30
General information
Molecular weight
389.40g/mol
Molar mass
389.4040g/mol
Density
1.5107g/cm3
Appearence

Tadalafil is typically found as a white or almost white powder.

Comment on solubility

Solubility of 5-[3-(dimethylamino)propyl]-8-nitro-benzo[b][1,4]benzoxazepin-6-one

The solubility of 5-[3-(dimethylamino)propyl]-8-nitro-benzo[b][1,4]benzoxazepin-6-one can be described through several noteworthy characteristics:

  • Polarity: The presence of polar functional groups, such as the nitro group and the dimethylamino moiety, suggests that this compound may exhibit varying degrees of solubility in polar solvents like water.
  • Hydrophobic Interactions: The benzoxazepin structure contributes to some hydrophobic properties, which may lower its overall solubility in aqueous environments.
  • Solvent Compatibility: The compound is likely to be more soluble in organic solvents, such as DMSO or ethanol, than in water, due to its organic nature.
  • pH Dependence: The solubility could also be influenced by pH levels, particularly due to the basic dimethylamino group that may become protonated in acidic conditions, potentially enhancing solubility.

In conclusion, while 5-[3-(dimethylamino)propyl]-8-nitro-benzo[b][1,4]benzoxazepin-6-one demonstrates the potential for varying solubility depending on its environment, predicting precise solubility requires empirical analysis under specified conditions.

Interesting facts

Interesting Facts about 5-[3-(dimethylamino)propyl]-8-nitro-benzo[1,4]benzoxazepin-6-one

This fascinating compound has captured the attention of chemists due to its unique structure and potential applications. Here are some intriguing facts that highlight its significance:

  • Pharmacological Potential: Compounds like this one are often studied for their pharmacological properties. The presence of the nitro group and the dimethylamino functional group may lead to interesting biological activities, making it a candidate for further pharmaceutical explorations.
  • Synthesis Complexity: The synthesis of such a compound often involves multiple steps, highlighting the *complexity and ingenuity* involved in modern organic chemistry. Each functional group contributes to the overall chemical behavior, requiring skilled techniques to assemble correctly.
  • Structure-Activity Relationship: This compound belongs to a class known as benzoxazepines, which have garnered interest for their *structural diversity*. Researchers often investigate how slight changes in the structure can influence activity, leading to more effective therapies.
  • Potential Uses: The core structure of the benzoxazepine may imply utility in various therapeutic areas, such as anti-depressants, anxiolytics, or even as a tool in neuropharmacology. As such, ongoing research is crucial to explore its complete profile.
  • Research Directions: Future studies may focus on understanding its mechanism of action, optimizing its chemical structure for improved efficacy, and evaluating its safety profile, which is essential for any new therapeutic agent development.

"The exploration of complex organic compounds like 5-[3-(dimethylamino)propyl]-8-nitro-benzo[1,4]benzoxazepin-6-one is where the frontier of chemistry meets the possibility of innovative medical breakthroughs."

As research continues to unfold, this compound exemplifies the ongoing quest for *knowledge and discovery* in the ever-evolving field of chemistry.

Synonyms
10-(3-(dimethylamino)propyl)-2-nitrodibenz(b,f)(1,4)-oxazepin-11(10H)-one
Nitroxazepine
47439-36-1
Nitroxazepine [WHO-DD]
CNU9GY55SI
5-[3-(dimethylamino)propyl]-8-nitrobenzo[b][1,4]benzoxazepin-6-one
Dibenz(b,f)(1,4)oxazepin-11(10H)-one, 10-(3-(dimethylamino)propyl)-2-nitro-
UNII-CNU9GY55SI
Dibenz(b,f)(1,4)oxazepin-11(10H)-one, 10-(3-(dimethylamino)propyl)-2-nitro-, monohydrochloride
SCHEMBL365375
orb1309334
CHEMBL5291995
CHEBI:135448
DTXSID501027193
XBA43936
AKOS040733862
CS-6587
DA-66115
TS-07844
HY-101684
Q7041517
5-[3-(dimethylamino)propyl]-8-nitro-benzo[b][1,4]benzoxazepin-6-one