Pregnenolone 16-acetonitrile
TL;DR: Pregnenolone 16-acetonitrile (CAS 102812-95-3) is a chemical compound with molecular formula C23H33NO2 and molecular weight 355.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3S,8S,9S,10R,13S,14S,16S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]acetonitrile
Also Known As: PGAAN, Pregnenolone 16-acetonitrile, Pregnenolone 16alpha-acetonitrile, pregnenolone 16 alpha-acetonitrile, SID:170467354
| Molecular Formula | C23H33NO2 |
|---|---|
| Molecular Weight | 355.25 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 355.25113 |
| Heavy Atoms | 26 |
| Complexity | 688.0 |
Chemical Identifiers
| CAS Number | 102812-95-3 |
|---|---|
| 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)CC#N |
| InChIKey | GMWISVUOUTUEHN-WISGCMSASA-N |
Product Overview
Pregnenolone 16-acetonitrile (CAS 102812-95-3), with molecular formula C23H33NO2 and molecular weight 355.25 g/mol. IUPAC: 2-[(3S,8S,9S,10R,13S,14S,16S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]acetonitrile.
Chemical Property Profile of Pregnenolone 16-acetonitrile
Property Insights of Pregnenolone 16-acetonitrile
The XLogP value of 3.8 indicates that Pregnenolone 16-acetonitrile 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 Pregnenolone 16-acetonitrile. Following Lipinski's Rule of Five, Pregnenolone 16-acetonitrile 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 Pregnenolone 16-acetonitrile?
The CAS number of Pregnenolone 16-acetonitrile is 102812-95-3.
What is the molecular formula of Pregnenolone 16-acetonitrile?
The molecular formula of Pregnenolone 16-acetonitrile is C23H33NO2.
What is the molecular weight of Pregnenolone 16-acetonitrile?
The molecular weight of Pregnenolone 16-acetonitrile is 355.25 g/mol.
Where can I buy Pregnenolone 16-acetonitrile?
You can request a quote for Pregnenolone 16-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pregnenolone 16-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Pregnenolone 16-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.