12-alpha-Chloropregn-4-ene-3,11,20-trione
TL;DR: 12-alpha-Chloropregn-4-ene-3,11,20-trione (CAS 106196-31-0) is a chemical compound with molecular formula C21H27ClO3 and molecular weight 362.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10R,12R,13S,14S,17S)-17-acetyl-12-chloro-10,13-dimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
Also Known As: 12-alpha-Chloropregn-4-ene-3,11,20-trione, 12alpha-Chloropregn-4-ene-3,11,20-trione, 12-Chloropregn-4-ene-3,11,20-trione, Pregn-4-ene-3,11,20-trione, 12-alpha-chloro-, (1S,3aS,3bS,9aR,9bS,11R,11aS)-1-acetyl-11-chloro-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-7,10-dione
| Molecular Formula | C21H27ClO3 |
|---|---|
| Molecular Weight | 362.16 g/mol |
| LogP | 4.1198 |
| Topological Polar Surface Area | 51.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 362.1649 |
| Heavy Atoms | 25 |
| Complexity | 695.25476 |
Chemical Identifiers
| CAS Number | 106196-31-0 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1([C@H](C(=O)[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)Cl)C |
Product Overview
12-alpha-Chloropregn-4-ene-3,11,20-trione (CAS 106196-31-0), with molecular formula C21H27ClO3 and molecular weight 362.16 g/mol. IUPAC: (8S,9S,10R,12R,13S,14S,17S)-17-acetyl-12-chloro-10,13-dimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dione.
Chemical Property Profile of 12-alpha-Chloropregn-4-ene-3,11,20-trione
Property Insights of 12-alpha-Chloropregn-4-ene-3,11,20-trione
The XLogP value of 4.1198 indicates that 12-alpha-Chloropregn-4-ene-3,11,20-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.21 Ų, 12-alpha-Chloropregn-4-ene-3,11,20-trione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-alpha-Chloropregn-4-ene-3,11,20-trione 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 12-alpha-Chloropregn-4-ene-3,11,20-trione?
The CAS number of 12-alpha-Chloropregn-4-ene-3,11,20-trione is 106196-31-0.
What is the molecular formula of 12-alpha-Chloropregn-4-ene-3,11,20-trione?
The molecular formula of 12-alpha-Chloropregn-4-ene-3,11,20-trione is C21H27ClO3.
What is the molecular weight of 12-alpha-Chloropregn-4-ene-3,11,20-trione?
The molecular weight of 12-alpha-Chloropregn-4-ene-3,11,20-trione is 362.16 g/mol.
Where can I buy 12-alpha-Chloropregn-4-ene-3,11,20-trione?
You can request a quote for 12-alpha-Chloropregn-4-ene-3,11,20-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-alpha-Chloropregn-4-ene-3,11,20-trione?
Yes, KEHONG BIO provides custom synthesis services for 12-alpha-Chloropregn-4-ene-3,11,20-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.