16α-氰基孕酮
TL;DR: 16α-氰基孕酮 (CAS 1434-54-4) is a chemical compound with molecular formula C22H31NO2 and molecular weight 341.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16α-氰基孕酮
(3S,8S,9S,10R,13S,14S,16R,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16-carbonitrile
Also Known As: PREGNENOLONE CARBONITRILE, Pregnenolone-16alpha-carbonitrile, Pregnenolone 16alpha-carbonitrile, pregnenolone-carbonitrile, Carbonitrile, Pregnenolone
| Molecular Formula | C22H31NO2 |
|---|---|
| Molecular Weight | 341.24 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 341.23547 |
| Heavy Atoms | 25 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 1434-54-4 |
|---|---|
| SMILES | CC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C#N |
| InChIKey | VSBHRRMYCDQLJF-ZDNYCOCVSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
16α-氰基孕酮 (CAS 1434-54-4), with molecular formula C22H31NO2 and molecular weight 341.24 g/mol. IUPAC: (3S,8S,9S,10R,13S,14S,16R,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16-carbonitrile.
Chemical Property Profile of 16α-氰基孕酮
Property Insights of 16α-氰基孕酮
The XLogP value of 3.4 indicates that 16α-氰基孕酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 16α-氰基孕酮. Following Lipinski's Rule of Five, 16α-氰基孕酮 has 1 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 16α-氰基孕酮?
The CAS number of 16α-氰基孕酮 is 1434-54-4.
What is the molecular formula of 16α-氰基孕酮?
The molecular formula of 16α-氰基孕酮 is C22H31NO2.
What is the molecular weight of 16α-氰基孕酮?
The molecular weight of 16α-氰基孕酮 is 341.24 g/mol.
Where can I buy 16α-氰基孕酮?
You can request a quote for 16α-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 16α-氰基孕酮?
Yes, KEHONG BIO provides custom synthesis services for 16α-氰基孕酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.