16-(4-methoxybenzylidene)androst-5-ene-3,17-diol
TL;DR: 16-(4-methoxybenzylidene)androst-5-ene-3,17-diol (CAS 5983-28-8) is a chemical compound with molecular formula C27H36O3 and molecular weight 408.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(16E)-16-[(4-methoxyphenyl)methylidene]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: 16-(4-methoxybenzylidene)androst-5-ene-3,17-diol, BIM-0030742.P001, (16E)-16-(4-methoxybenzylidene)androst-5-ene-3,17-diol, AS-871/12837333, (16E)-16-[(4-Methoxyphenyl)methylidene]androst-5-ene-3,17-diol
| Molecular Formula | C27H36O3 |
|---|---|
| Molecular Weight | 408.27 g/mol |
| LogP | 5.3731 |
| Topological Polar Surface Area | 49.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 408.26645 |
| Heavy Atoms | 30 |
| Complexity | 868.5993 |
Chemical Identifiers
| CAS Number | 5983-28-8 |
|---|---|
| SMILES | CC12CCC(CC1=CCC3C2CCC4(C3C/C(=C\C5=CC=C(C=C5)OC)/C4O)C)O |
Product Overview
16-(4-methoxybenzylidene)androst-5-ene-3,17-diol (CAS 5983-28-8), with molecular formula C27H36O3 and molecular weight 408.27 g/mol. IUPAC: (16E)-16-[(4-methoxyphenyl)methylidene]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of 16-(4-methoxybenzylidene)androst-5-ene-3,17-diol
Property Insights of 16-(4-methoxybenzylidene)androst-5-ene-3,17-diol
The XLogP value of 5.3731 indicates that 16-(4-methoxybenzylidene)androst-5-ene-3,17-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.69 Ų, 16-(4-methoxybenzylidene)androst-5-ene-3,17-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16-(4-methoxybenzylidene)androst-5-ene-3,17-diol has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 16-(4-methoxybenzylidene)androst-5-ene-3,17-diol?
The CAS number of 16-(4-methoxybenzylidene)androst-5-ene-3,17-diol is 5983-28-8.
What is the molecular formula of 16-(4-methoxybenzylidene)androst-5-ene-3,17-diol?
The molecular formula of 16-(4-methoxybenzylidene)androst-5-ene-3,17-diol is C27H36O3.
What is the molecular weight of 16-(4-methoxybenzylidene)androst-5-ene-3,17-diol?
The molecular weight of 16-(4-methoxybenzylidene)androst-5-ene-3,17-diol is 408.27 g/mol.
Where can I buy 16-(4-methoxybenzylidene)androst-5-ene-3,17-diol?
You can request a quote for 16-(4-methoxybenzylidene)androst-5-ene-3,17-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-(4-methoxybenzylidene)androst-5-ene-3,17-diol?
Yes, KEHONG BIO provides custom synthesis services for 16-(4-methoxybenzylidene)androst-5-ene-3,17-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.