19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate
TL;DR: 19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate (CAS 5933-68-6) is a chemical compound with molecular formula C21H29ClO3 and molecular weight 364.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8S,9S,10S,13S,14S)-10-(chloromethyl)-13-methyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
Also Known As: 19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate, 19-Chloro-17-oxoandrost-5-en-3-yl acetate, J2.791.703H, 19-chloro-3, A-hydroxyandrost-5-en-17-one acetate
| Molecular Formula | C21H29ClO3 |
|---|---|
| Molecular Weight | 364.18 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.1805 |
| Heavy Atoms | 25 |
| Complexity | 627.0 |
Chemical Identifiers
| CAS Number | 5933-68-6 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4=O)C)CCl |
| InChIKey | SIBJPHIFXVTUQA-JPRZGNOKSA-N |
Product Overview
19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate (CAS 5933-68-6), with molecular formula C21H29ClO3 and molecular weight 364.18 g/mol. IUPAC: [(3S,8S,9S,10S,13S,14S)-10-(chloromethyl)-13-methyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate
Property Insights of 19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate
The XLogP value of 3.9 indicates that 19-Chloro-3beta-hydroxyandrost-5-en-17-one 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, 19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 19-Chloro-3beta-hydroxyandrost-5-en-17-one 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 19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate?
The CAS number of 19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate is 5933-68-6.
What is the molecular formula of 19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate?
The molecular formula of 19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate is C21H29ClO3.
What is the molecular weight of 19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate?
The molecular weight of 19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate is 364.18 g/mol.
Where can I buy 19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate?
You can request a quote for 19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate?
Yes, KEHONG BIO provides custom synthesis services for 19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.