Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(o-toluidino)-4-thiazolyl)-
TL;DR: Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(o-toluidino)-4-thiazolyl)- (CAS 97100-35-1) is a chemical compound with molecular formula C29H38N2O2S and molecular weight 478.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: 17-beta-(2-(o-Toluidino)-4-thiazolyl)androst-4-ene-3-beta,17-alpha-diol, ANDROST-4-ENE-3-beta,17-alpha-DIOL, 17-beta-(2-(o-TOLUIDINO)-4-THIAZOLYL)-, (3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol, 17-{2-[(2-Methylphenyl)imino]-2,3-dihydro-1,3-thiazol-4-yl}androst-4-ene-3,17-diol, 17beta-{2-[(2-Methylphenyl)imino]-2,3-dihydro-1,3-thiazol-4-yl}androst-4-ene-3beta,17alpha-diol
| Molecular Formula | C29H38N2O2S |
|---|---|
| Molecular Weight | 478.27 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 93.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 478.2654 |
| Heavy Atoms | 34 |
| Complexity | 820.0 |
Chemical Identifiers
| CAS Number | 97100-35-1 |
|---|---|
| SMILES | CC1=CC=CC=C1NC2=NC(=CS2)[C@]3(CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4CCC6=C[C@H](CC[C@]56C)O)C)O |
| InChIKey | HYUQNLQHFLWWPH-IYLGAXIPSA-N |
Product Overview
Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(o-toluidino)-4-thiazolyl)- (CAS 97100-35-1), with molecular formula C29H38N2O2S and molecular weight 478.27 g/mol. IUPAC: (3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(o-toluidino)-4-thiazolyl)-
Property Insights of Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(o-toluidino)-4-thiazolyl)-
The XLogP value of 6.0 indicates that Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(o-toluidino)-4-thiazolyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(o-toluidino)-4-thiazolyl)-. Following Lipinski's Rule of Five, Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(o-toluidino)-4-thiazolyl)- has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(o-toluidino)-4-thiazolyl)-?
The CAS number of Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(o-toluidino)-4-thiazolyl)- is 97100-35-1.
What is the molecular formula of Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(o-toluidino)-4-thiazolyl)-?
The molecular formula of Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(o-toluidino)-4-thiazolyl)- is C29H38N2O2S.
What is the molecular weight of Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(o-toluidino)-4-thiazolyl)-?
The molecular weight of Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(o-toluidino)-4-thiazolyl)- is 478.27 g/mol.
Where can I buy Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(o-toluidino)-4-thiazolyl)-?
You can request a quote for Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(o-toluidino)-4-thiazolyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(o-toluidino)-4-thiazolyl)-?
Yes, KEHONG BIO provides custom synthesis services for Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(o-toluidino)-4-thiazolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.