17-(3'-Thiophenyl)androstane-3,14-diol 3-glucopyranoside
TL;DR: 17-(3'-Thiophenyl)androstane-3,14-diol 3-glucopyranoside (CAS 1176-44-9) is a chemical compound with molecular formula C31H46O7S and molecular weight 562.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]cyclohexa-2,4-diene-1-thione
Also Known As: 17-TADG, 17BETA(H), 21ALPHA(H)-HOPANE, 17-(3'-Thiophenyl)androstane-3,14-diol 3-glucopyranoside, 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]cyclohexa-2,4-diene-1-thione, 17beta-(3'-Thiophenyl)-5beta-androstane-3beta,14beta-diol 3-D-glucopyranoside
| Molecular Formula | C31H46O7S |
|---|---|
| Molecular Weight | 562.30 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 562.29645 |
| Heavy Atoms | 39 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 1176-44-9 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=S)CC=C5)O)C)OC6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O |
| InChIKey | IHIRMPVEMZARQI-KVQHSJIPSA-N |
Product Overview
17-(3'-Thiophenyl)androstane-3,14-diol 3-glucopyranoside (CAS 1176-44-9), with molecular formula C31H46O7S and molecular weight 562.30 g/mol. IUPAC: 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]cyclohexa-2,4-diene-1-thione.
Chemical Property Profile of 17-(3'-Thiophenyl)androstane-3,14-diol 3-glucopyranoside
Property Insights of 17-(3'-Thiophenyl)androstane-3,14-diol 3-glucopyranoside
The XLogP value of 3.0 indicates that 17-(3'-Thiophenyl)androstane-3,14-diol 3-glucopyranoside is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.0 Ų indicates high polarity, suggesting 17-(3'-Thiophenyl)androstane-3,14-diol 3-glucopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 17-(3'-Thiophenyl)androstane-3,14-diol 3-glucopyranoside has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 17-(3'-Thiophenyl)androstane-3,14-diol 3-glucopyranoside?
The CAS number of 17-(3'-Thiophenyl)androstane-3,14-diol 3-glucopyranoside is 1176-44-9.
What is the molecular formula of 17-(3'-Thiophenyl)androstane-3,14-diol 3-glucopyranoside?
The molecular formula of 17-(3'-Thiophenyl)androstane-3,14-diol 3-glucopyranoside is C31H46O7S.
What is the molecular weight of 17-(3'-Thiophenyl)androstane-3,14-diol 3-glucopyranoside?
The molecular weight of 17-(3'-Thiophenyl)androstane-3,14-diol 3-glucopyranoside is 562.30 g/mol.
Where can I buy 17-(3'-Thiophenyl)androstane-3,14-diol 3-glucopyranoside?
You can request a quote for 17-(3'-Thiophenyl)androstane-3,14-diol 3-glucopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-(3'-Thiophenyl)androstane-3,14-diol 3-glucopyranoside?
Yes, KEHONG BIO provides custom synthesis services for 17-(3'-Thiophenyl)androstane-3,14-diol 3-glucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.