21-Chloropregnenolone
TL;DR: 21-Chloropregnenolone (CAS 30459-98-4) is a chemical compound with molecular formula C21H31ClO2 and molecular weight 350.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-[(8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Also Known As: 21-Chloropregnenolone, 21-Cpg, 21-Chloro-3-hydroxypregn-5-en-20-one, Pregn-5-en-20-one, 21-chloro-3-hydroxy-, (3beta)-, 2-chloro-1-[(8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
| Molecular Formula | C21H31ClO2 |
|---|---|
| Molecular Weight | 350.20 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.20126 |
| Heavy Atoms | 24 |
| Complexity | 570.0 |
Chemical Identifiers
| CAS Number | 30459-98-4 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CCl)CC=C4[C@@]3(CCC(C4)O)C |
| InChIKey | PKGVHUPHLJLSIM-JIUSCHCVSA-N |
Product Overview
21-Chloropregnenolone (CAS 30459-98-4), with molecular formula C21H31ClO2 and molecular weight 350.20 g/mol. IUPAC: 2-chloro-1-[(8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone.
Chemical Property Profile of 21-Chloropregnenolone
Property Insights of 21-Chloropregnenolone
The XLogP value of 4.8 indicates that 21-Chloropregnenolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 21-Chloropregnenolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 21-Chloropregnenolone 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 21-Chloropregnenolone?
The CAS number of 21-Chloropregnenolone is 30459-98-4.
What is the molecular formula of 21-Chloropregnenolone?
The molecular formula of 21-Chloropregnenolone is C21H31ClO2.
What is the molecular weight of 21-Chloropregnenolone?
The molecular weight of 21-Chloropregnenolone is 350.20 g/mol.
Where can I buy 21-Chloropregnenolone?
You can request a quote for 21-Chloropregnenolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 21-Chloropregnenolone?
Yes, KEHONG BIO provides custom synthesis services for 21-Chloropregnenolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.