6-Chloro-17-ethylpregna-4,6-diene-3,20-dione
TL;DR: 6-Chloro-17-ethylpregna-4,6-diene-3,20-dione (CAS 802-81-3) is a chemical compound with molecular formula C23H31ClO2 and molecular weight 374.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10R,13S,14S,17S)-17-acetyl-6-chloro-17-ethyl-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: 6-Chloro-17-ethylpregna-4,6-diene-3,20-dione, 6-Chloro-17-ethyl-pregna-4,6-diene-3,20-dione, 6-Chloro-6-dehydro-17-alpha-ethylprogesterone, Pregna-4,6-diene-3,20-dione, 6-chloro-17-ethyl-, 17-Acetyl-6-chloropregna-4,6-dien-3-one
| Molecular Formula | C23H31ClO2 |
|---|---|
| Molecular Weight | 374.20 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 374.20126 |
| Heavy Atoms | 26 |
| Complexity | 734.0 |
Chemical Identifiers
| CAS Number | 802-81-3 |
|---|---|
| SMILES | CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)CC[C@]34C)Cl)C)C(=O)C |
| InChIKey | FBALPBIKGCMYPR-CZZSXQRJSA-N |
Product Overview
6-Chloro-17-ethylpregna-4,6-diene-3,20-dione (CAS 802-81-3), with molecular formula C23H31ClO2 and molecular weight 374.20 g/mol. IUPAC: (8S,9S,10R,13S,14S,17S)-17-acetyl-6-chloro-17-ethyl-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 6-Chloro-17-ethylpregna-4,6-diene-3,20-dione
Property Insights of 6-Chloro-17-ethylpregna-4,6-diene-3,20-dione
The XLogP value of 4.8 indicates that 6-Chloro-17-ethylpregna-4,6-diene-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, 6-Chloro-17-ethylpregna-4,6-diene-3,20-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-17-ethylpregna-4,6-diene-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 6-Chloro-17-ethylpregna-4,6-diene-3,20-dione?
The CAS number of 6-Chloro-17-ethylpregna-4,6-diene-3,20-dione is 802-81-3.
What is the molecular formula of 6-Chloro-17-ethylpregna-4,6-diene-3,20-dione?
The molecular formula of 6-Chloro-17-ethylpregna-4,6-diene-3,20-dione is C23H31ClO2.
What is the molecular weight of 6-Chloro-17-ethylpregna-4,6-diene-3,20-dione?
The molecular weight of 6-Chloro-17-ethylpregna-4,6-diene-3,20-dione is 374.20 g/mol.
Where can I buy 6-Chloro-17-ethylpregna-4,6-diene-3,20-dione?
You can request a quote for 6-Chloro-17-ethylpregna-4,6-diene-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 6-Chloro-17-ethylpregna-4,6-diene-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-17-ethylpregna-4,6-diene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.