3-羟基-5-雄烷-17-甲腈
TL;DR: 3-羟基-5-雄烷-17-甲腈 (CAS 51872-53-8) is a chemical compound with molecular formula C20H31NO and molecular weight 301.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-羟基-5-雄烷-17-甲腈
(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile
Also Known As: 3-Ohacn, 3-Hydroxy-5-androstane-17-carbonitrile, 3-hydroxyandrostane-17-carbonitrile, 17beta-Cyano-3alpha-hydroxy- 5alpha-androstane, 3alpha-Hydroxy-5alpha-androstane-17beta-carbonitrile
| Molecular Formula | C20H31NO |
|---|---|
| Molecular Weight | 301.24 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 301.24057 |
| Heavy Atoms | 22 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 51872-53-8 |
|---|---|
| SMILES | C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C#N)C)O |
| InChIKey | DVTDUTYENPZLFP-YBXIWKLVSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-羟基-5-雄烷-17-甲腈 (CAS 51872-53-8), with molecular formula C20H31NO and molecular weight 301.24 g/mol. IUPAC: (3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile.
Chemical Property Profile of 3-羟基-5-雄烷-17-甲腈
Property Insights of 3-羟基-5-雄烷-17-甲腈
The XLogP value of 4.9 indicates that 3-羟基-5-雄烷-17-甲腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.0 Ų, 3-羟基-5-雄烷-17-甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-羟基-5-雄烷-17-甲腈 has 1 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-羟基-5-雄烷-17-甲腈?
The CAS number of 3-羟基-5-雄烷-17-甲腈 is 51872-53-8.
What is the molecular formula of 3-羟基-5-雄烷-17-甲腈?
The molecular formula of 3-羟基-5-雄烷-17-甲腈 is C20H31NO.
What is the molecular weight of 3-羟基-5-雄烷-17-甲腈?
The molecular weight of 3-羟基-5-雄烷-17-甲腈 is 301.24 g/mol.
Where can I buy 3-羟基-5-雄烷-17-甲腈?
You can request a quote for 3-羟基-5-雄烷-17-甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-羟基-5-雄烷-17-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 3-羟基-5-雄烷-17-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.