6-Chloro-5-methyl-20-oxo-19-norpregn-9-en-3-yl acetate
TL;DR: 6-Chloro-5-methyl-20-oxo-19-norpregn-9-en-3-yl acetate (CAS 81982-83-4) is a chemical compound with molecular formula C23H33ClO3 and molecular weight 392.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5R,6R,8S,13S,14S,17S)-17-acetyl-6-chloro-5,13-dimethyl-2,3,4,6,7,8,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: 6-Chloro-5-methyl-20-oxo-19-norpregn-9-en-3-yl acetate, [(3S,5R,6R,8S,13S,14S,17S)-17-acetyl-6-chloro-5,13-dimethyl-2,3,4,6,7,8,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate, 6beta-Chloro-5-methyl-20-oxo-5beta-19-norpregn-9-en-3beta-yl acetate, (3S,5R,6R,8S,13S,14S,17S)-17-acetyl-6-chloro-5,13-dimethyl-2,3,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
| Molecular Formula | C23H33ClO3 |
|---|---|
| Molecular Weight | 392.21 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 392.21182 |
| Heavy Atoms | 27 |
| Complexity | 698.0 |
Chemical Identifiers
| CAS Number | 81982-83-4 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CCC3=C4CC[C@@H](C[C@]4([C@@H](C[C@@H]23)Cl)C)OC(=O)C)C |
| InChIKey | DWNZKLPTZXYKGK-DQLVZRRUSA-N |
Product Overview
6-Chloro-5-methyl-20-oxo-19-norpregn-9-en-3-yl acetate (CAS 81982-83-4), with molecular formula C23H33ClO3 and molecular weight 392.21 g/mol. IUPAC: [(3S,5R,6R,8S,13S,14S,17S)-17-acetyl-6-chloro-5,13-dimethyl-2,3,4,6,7,8,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 6-Chloro-5-methyl-20-oxo-19-norpregn-9-en-3-yl acetate
Property Insights of 6-Chloro-5-methyl-20-oxo-19-norpregn-9-en-3-yl acetate
The XLogP value of 4.2 indicates that 6-Chloro-5-methyl-20-oxo-19-norpregn-9-en-3-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 6-Chloro-5-methyl-20-oxo-19-norpregn-9-en-3-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-5-methyl-20-oxo-19-norpregn-9-en-3-yl acetate 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 6-Chloro-5-methyl-20-oxo-19-norpregn-9-en-3-yl acetate?
The CAS number of 6-Chloro-5-methyl-20-oxo-19-norpregn-9-en-3-yl acetate is 81982-83-4.
What is the molecular formula of 6-Chloro-5-methyl-20-oxo-19-norpregn-9-en-3-yl acetate?
The molecular formula of 6-Chloro-5-methyl-20-oxo-19-norpregn-9-en-3-yl acetate is C23H33ClO3.
What is the molecular weight of 6-Chloro-5-methyl-20-oxo-19-norpregn-9-en-3-yl acetate?
The molecular weight of 6-Chloro-5-methyl-20-oxo-19-norpregn-9-en-3-yl acetate is 392.21 g/mol.
Where can I buy 6-Chloro-5-methyl-20-oxo-19-norpregn-9-en-3-yl acetate?
You can request a quote for 6-Chloro-5-methyl-20-oxo-19-norpregn-9-en-3-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-5-methyl-20-oxo-19-norpregn-9-en-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-5-methyl-20-oxo-19-norpregn-9-en-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.