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Testosterone 17-O-toluenesulfonate

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Identification
Molecular formula
C32H48O3S
CAS number
58272-16-7
IUPAC name
[(3S,17R)-17-(1,5-dimethylhexyl)-1,13-dimethyl-1,2,3,4,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonate
State
State

At room temperature, the compound is in solid state usually appearing as a crystalline powder.

Melting point (Celsius)
140.00
Melting point (Kelvin)
413.00
Boiling point (Celsius)
422.20
Boiling point (Kelvin)
695.40
General information
Molecular weight
512.76g/mol
Molar mass
512.7430g/mol
Density
1.1000g/cm3
Appearence

This compound is typically a white or off-white crystalline powder.

Comment on solubility

Solubility Characteristics

The solubility of the compound [(3S,17R)-17-(1,5-dimethylhexyl)-1,13-dimethyl-1,2,3,4,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonate can be discussed in various contexts depending on its structure and functional groups.

Solubility Factors

The solubility of a compound in different solvents is significantly influenced by:

  • Polarity: The presence of polar functional groups can enhance solubility in polar solvents such as water, while non-polar groups may favor solubility in organic solvents.
  • Functional Groups: The sulfonate group (4-methylbenzenesulfonate) typically increases water solubility due to its ionic nature, while the rest of the hydrocarbon structure with dimethylhexyl components may behave differently.
  • Molecular Size: Larger and bulkier molecules tend to have lower solubility, while smaller, more compact structures are often more soluble in various solvents.
  • Temperature: Increased temperature generally enhances solubility for most solids, potentially altering the solubility profile of this compound.

Given these factors, it can be anticipated that the sulfonate group could provide a degree of aqueous solubility, yet the bulky hydrocarbon structure may limit it. Thus, it is reasonable to conclude that this compound may exhibit characteristics of moderate solubility in polar solvents, while its solubility in non-polar solvents could be more favorable.

Conclusion

In summary, the solubility of this compound is influenced by both its ionic and hydrophobic properties, making it an interesting subject for further research in solubility behavior across various mediums.

Interesting facts

Interesting Facts about [(3S,17R)-17-(1,5-dimethylhexyl)-1,13-dimethyl-1,2,3,4,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonate

This compound presents a fascinating blend of complex structures and biological relevance. Here are some engaging facts about it:

  • Steroidal Backbone: The compound features a steroidal structure, which is known for its significant roles in biological systems, including hormones and cellular signaling.
  • Dimethyl Substitution: The presence of dimethyl groups in its structure contributes to its unique physical and chemical properties, influencing its interactions with biological molecules.
  • Applications in Medicine: Steroidal compounds often have applications in pharmacology, particularly in the development of anti-inflammatory drugs and hormone therapies.
  • Unique Stereochemistry: The stereochemistry, indicated by descriptors like (3S,17R), is crucial for the biological activity of the compound, as the spatial arrangement of atoms affects how it interacts with biomolecules.
  • Environmental Considerations: The chemical behavior in different environments, possibly affecting its stability and biodegradability, makes this compound of interest in environmental chemistry.

As we explore the compound further, we can appreciate how intricate molecular design can lead to significant biological activity and potential therapeutic uses. It's crucial to continue investigating such compounds to unlock their full potential in various scientific fields.

Synonyms
EINECS 214-657-8
NSC 132807
NSC 134905
Cholest-5-en-3beta-yl toluene-p-sulphonate
Cholest-5-en-3-ol (3beta)-, 3-(4-methylbenzenesulfonate)