17β-羟基-5α-雄甾-2-烯-2-甲腈
TL;DR: 17β-羟基-5α-雄甾-2-烯-2-甲腈 (CAS 1093-60-3) is a chemical compound with molecular formula C20H29NO and molecular weight 299.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17β-羟基-5α-雄甾-2-烯-2-甲腈
(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carbonitrile
Also Known As: 17beta-Hydroxy-5alpha-androst-2-ene-2-carbonitrile, 2-Cyano-5-alpha-androst-2-en-17-beta-ol, 17-Hydroxyandrost-2-ene-2-carbonitrile, 17-beta-Hydroxy-5-alpha-androst-2-ene-2-carbonitrile, 5-alpha-ANDROST-2-ENE-2-CARBONITRILE, 17-beta-HYDROXY-
| Molecular Formula | C20H29NO |
|---|---|
| Molecular Weight | 299.22 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 299.2249 |
| Heavy Atoms | 22 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 1093-60-3 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@]3(CC(=CC4)C#N)C |
| InChIKey | WAYOXMHWDMAJDN-WDCLZLQXSA-N |
Product Overview
17β-羟基-5α-雄甾-2-烯-2-甲腈 (CAS 1093-60-3), with molecular formula C20H29NO and molecular weight 299.22 g/mol. IUPAC: (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carbonitrile.
Chemical Property Profile of 17β-羟基-5α-雄甾-2-烯-2-甲腈
Property Insights of 17β-羟基-5α-雄甾-2-烯-2-甲腈
The XLogP value of 4.5 indicates that 17β-羟基-5α-雄甾-2-烯-2-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, 17β-羟基-5α-雄甾-2-烯-2-甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17β-羟基-5α-雄甾-2-烯-2-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 17β-羟基-5α-雄甾-2-烯-2-甲腈?
The CAS number of 17β-羟基-5α-雄甾-2-烯-2-甲腈 is 1093-60-3.
What is the molecular formula of 17β-羟基-5α-雄甾-2-烯-2-甲腈?
The molecular formula of 17β-羟基-5α-雄甾-2-烯-2-甲腈 is C20H29NO.
What is the molecular weight of 17β-羟基-5α-雄甾-2-烯-2-甲腈?
The molecular weight of 17β-羟基-5α-雄甾-2-烯-2-甲腈 is 299.22 g/mol.
Where can I buy 17β-羟基-5α-雄甾-2-烯-2-甲腈?
You can request a quote for 17β-羟基-5α-雄甾-2-烯-2-甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17β-羟基-5α-雄甾-2-烯-2-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 17β-羟基-5α-雄甾-2-烯-2-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.