3-Ethynylandrostane-3,17-diol, (3beta,5alpha,17beta)-
TL;DR: 3-Ethynylandrostane-3,17-diol, (3beta,5alpha,17beta)- (CAS 109517-73-9) is a chemical compound with molecular formula C21H32O2 and molecular weight 316.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5S,8R,9S,10S,13S,14S,17S)-3-ethynyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: 3-Ethynylandrostane-3,17-diol, (3beta,5alpha,17beta)-, 3-Ethynyl-5alpha-androstane-3beta,17beta-diol, 3-ethynyl-5, A-androstane-3, A-diol
| Molecular Formula | C21H32O2 |
|---|---|
| Molecular Weight | 316.24 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.24023 |
| Heavy Atoms | 23 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 109517-73-9 |
|---|---|
| SMILES | C[C@]12CC[C@](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)(C#C)O |
| InChIKey | FOCZFVYLRBKYGM-QKSWPAOXSA-N |
Product Overview
3-Ethynylandrostane-3,17-diol, (3beta,5alpha,17beta)- (CAS 109517-73-9), with molecular formula C21H32O2 and molecular weight 316.24 g/mol. IUPAC: (3S,5S,8R,9S,10S,13S,14S,17S)-3-ethynyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of 3-Ethynylandrostane-3,17-diol, (3beta,5alpha,17beta)-
Property Insights of 3-Ethynylandrostane-3,17-diol, (3beta,5alpha,17beta)-
The XLogP value of 4.1 indicates that 3-Ethynylandrostane-3,17-diol, (3beta,5alpha,17beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 3-Ethynylandrostane-3,17-diol, (3beta,5alpha,17beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethynylandrostane-3,17-diol, (3beta,5alpha,17beta)- has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Ethynylandrostane-3,17-diol, (3beta,5alpha,17beta)-?
The CAS number of 3-Ethynylandrostane-3,17-diol, (3beta,5alpha,17beta)- is 109517-73-9.
What is the molecular formula of 3-Ethynylandrostane-3,17-diol, (3beta,5alpha,17beta)-?
The molecular formula of 3-Ethynylandrostane-3,17-diol, (3beta,5alpha,17beta)- is C21H32O2.
What is the molecular weight of 3-Ethynylandrostane-3,17-diol, (3beta,5alpha,17beta)-?
The molecular weight of 3-Ethynylandrostane-3,17-diol, (3beta,5alpha,17beta)- is 316.24 g/mol.
Where can I buy 3-Ethynylandrostane-3,17-diol, (3beta,5alpha,17beta)-?
You can request a quote for 3-Ethynylandrostane-3,17-diol, (3beta,5alpha,17beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethynylandrostane-3,17-diol, (3beta,5alpha,17beta)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethynylandrostane-3,17-diol, (3beta,5alpha,17beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.