2-氰基孕酮
TL;DR: 2-氰基孕酮 (CAS 95160-20-6) is a chemical compound with molecular formula C22H29NO2 and molecular weight 339.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氰基孕酮
(2S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-2-carbonitrile
Also Known As: 2-Cyanoprogesterone, 3,20-Dioxopregn-4-ene-2-carbonitrile, 3,20-Dioxopregn-4-ene-2alpha-carbonitrile, Pregn-4-ene-2-carbonitrile, 3,20-dioxo-, (2-alpha)-, (2S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-2-carbonitrile
| Molecular Formula | C22H29NO2 |
|---|---|
| Molecular Weight | 339.22 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 339.21982 |
| Heavy Atoms | 25 |
| Complexity | 713.0 |
Chemical Identifiers
| CAS Number | 95160-20-6 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)[C@@H](C[C@]34C)C#N)C |
| InChIKey | LCBHEXVEFLXMAU-PXMSCXOESA-N |
Product Overview
2-氰基孕酮 (CAS 95160-20-6), with molecular formula C22H29NO2 and molecular weight 339.22 g/mol. IUPAC: (2S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-2-carbonitrile.
Chemical Property Profile of 2-氰基孕酮
Property Insights of 2-氰基孕酮
The XLogP value of 3.9 indicates that 2-氰基孕酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, 2-氰基孕酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氰基孕酮 has 0 hydrogen bond donor(s) and 3 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 2-氰基孕酮?
The CAS number of 2-氰基孕酮 is 95160-20-6.
What is the molecular formula of 2-氰基孕酮?
The molecular formula of 2-氰基孕酮 is C22H29NO2.
What is the molecular weight of 2-氰基孕酮?
The molecular weight of 2-氰基孕酮 is 339.22 g/mol.
Where can I buy 2-氰基孕酮?
You can request a quote for 2-氰基孕酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氰基孕酮?
Yes, KEHONG BIO provides custom synthesis services for 2-氰基孕酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.