6beta-Chloro-9beta,10alpha-pregn-4-ene-3,20-dione
TL;DR: 6beta-Chloro-9beta,10alpha-pregn-4-ene-3,20-dione (CAS 4594-30-3) is a chemical compound with molecular formula C21H29ClO2 and molecular weight 348.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,8S,9R,10S,13S,14S,17S)-17-acetyl-6-chloro-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: N-Nor-1-methylcorypalline, 16-alpha-Chloroprogesterone, 6beta-Chloro-9beta,10alpha-pregn-4-ene-3,20-dione, (9beta,10alpha)-6beta-Chloropregn-4-ene-3,20-dione, Pregn-4-ene-3,20-dione, 6-chloro-, (6I(2),9I(2),10I+/-)-
| Molecular Formula | C21H29ClO2 |
|---|---|
| Molecular Weight | 348.19 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 348.1856 |
| Heavy Atoms | 24 |
| Complexity | 623.0 |
Chemical Identifiers
| CAS Number | 4594-30-3 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@H]2C[C@H](C4=CC(=O)CC[C@@]34C)Cl)C |
| InChIKey | ICTXWOSKTZKFBH-XHOBZQISSA-N |
Product Overview
6beta-Chloro-9beta,10alpha-pregn-4-ene-3,20-dione (CAS 4594-30-3), with molecular formula C21H29ClO2 and molecular weight 348.19 g/mol. IUPAC: (6R,8S,9R,10S,13S,14S,17S)-17-acetyl-6-chloro-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 6beta-Chloro-9beta,10alpha-pregn-4-ene-3,20-dione
Property Insights of 6beta-Chloro-9beta,10alpha-pregn-4-ene-3,20-dione
The XLogP value of 3.8 indicates that 6beta-Chloro-9beta,10alpha-pregn-4-ene-3,20-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 6beta-Chloro-9beta,10alpha-pregn-4-ene-3,20-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6beta-Chloro-9beta,10alpha-pregn-4-ene-3,20-dione has 0 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 6beta-Chloro-9beta,10alpha-pregn-4-ene-3,20-dione?
The CAS number of 6beta-Chloro-9beta,10alpha-pregn-4-ene-3,20-dione is 4594-30-3.
What is the molecular formula of 6beta-Chloro-9beta,10alpha-pregn-4-ene-3,20-dione?
The molecular formula of 6beta-Chloro-9beta,10alpha-pregn-4-ene-3,20-dione is C21H29ClO2.
What is the molecular weight of 6beta-Chloro-9beta,10alpha-pregn-4-ene-3,20-dione?
The molecular weight of 6beta-Chloro-9beta,10alpha-pregn-4-ene-3,20-dione is 348.19 g/mol.
Where can I buy 6beta-Chloro-9beta,10alpha-pregn-4-ene-3,20-dione?
You can request a quote for 6beta-Chloro-9beta,10alpha-pregn-4-ene-3,20-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6beta-Chloro-9beta,10alpha-pregn-4-ene-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 6beta-Chloro-9beta,10alpha-pregn-4-ene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.