3,11,17-三氧代雄甾烷-5-甲腈
TL;DR: 3,11,17-三氧代雄甾烷-5-甲腈 (CAS 144940-53-4) is a chemical compound with molecular formula C20H25NO3 and molecular weight 327.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,11,17-三氧代雄甾烷-5-甲腈
(5R,8S,9S,10R,13S,14S)-10,13-dimethyl-3,11,17-trioxo-2,4,6,7,8,9,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-5-carbonitrile
Also Known As: Trioxoandrost-5CN, 3,11,17-Trioxoandrostane-5-carbonitrile, 3,11,17-Trioxoandrostane-5alpha-carbonitrile, 3,11,17-Trioxo-5alpha-androstane-5-carbonitrile, 3,11,17-trioxoandrostane-5 alpha-carbonitrile
| Molecular Formula | C20H25NO3 |
|---|---|
| Molecular Weight | 327.18 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 75.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 327.18344 |
| Heavy Atoms | 24 |
| Complexity | 703.0 |
Chemical Identifiers
| CAS Number | 144940-53-4 |
|---|---|
| SMILES | C[C@]12CCC(=O)C[C@@]1(CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CCC4=O)C)C#N |
| InChIKey | KTCCSAJITZHMGX-DTVKZUOLSA-N |
Product Overview
3,11,17-三氧代雄甾烷-5-甲腈 (CAS 144940-53-4), with molecular formula C20H25NO3 and molecular weight 327.18 g/mol. IUPAC: (5R,8S,9S,10R,13S,14S)-10,13-dimethyl-3,11,17-trioxo-2,4,6,7,8,9,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-5-carbonitrile.
Chemical Property Profile of 3,11,17-三氧代雄甾烷-5-甲腈
Property Insights of 3,11,17-三氧代雄甾烷-5-甲腈
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,11,17-三氧代雄甾烷-5-甲腈. The TPSA of 75.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,11,17-三氧代雄甾烷-5-甲腈. Following Lipinski's Rule of Five, 3,11,17-三氧代雄甾烷-5-甲腈 has 0 hydrogen bond donor(s) and 4 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 3,11,17-三氧代雄甾烷-5-甲腈?
The CAS number of 3,11,17-三氧代雄甾烷-5-甲腈 is 144940-53-4.
What is the molecular formula of 3,11,17-三氧代雄甾烷-5-甲腈?
The molecular formula of 3,11,17-三氧代雄甾烷-5-甲腈 is C20H25NO3.
What is the molecular weight of 3,11,17-三氧代雄甾烷-5-甲腈?
The molecular weight of 3,11,17-三氧代雄甾烷-5-甲腈 is 327.18 g/mol.
Where can I buy 3,11,17-三氧代雄甾烷-5-甲腈?
You can request a quote for 3,11,17-三氧代雄甾烷-5-甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,11,17-三氧代雄甾烷-5-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 3,11,17-三氧代雄甾烷-5-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.