3beta-Acetoxy-19-hydroxyandrost-5-en-17-one
TL;DR: 3beta-Acetoxy-19-hydroxyandrost-5-en-17-one (CAS 28795-86-0) is a chemical compound with molecular formula C21H30O4 and molecular weight 346.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8R,9S,10S,13S,14S)-10-(hydroxymethyl)-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: 3beta-Acetoxy-19-hydroxyandrost-5-en-17-one, 3beta,19-Dihydroxyandrost-5-en-17-one 3-acetate, Androst-5-en-17-one, (3.beta.)-, A-acetoxy-19-hydroxyandrost-5-en-17-one, (1E)-1-[(4-iodophenyl)methylidene]indene
| Molecular Formula | C21H30O4 |
|---|---|
| Molecular Weight | 346.21 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.21442 |
| Heavy Atoms | 25 |
| Complexity | 623.0 |
Chemical Identifiers
| CAS Number | 28795-86-0 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4=O)C)CO |
| InChIKey | JDEYENFMPLMNPT-JPRZGNOKSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3beta-Acetoxy-19-hydroxyandrost-5-en-17-one (CAS 28795-86-0), with molecular formula C21H30O4 and molecular weight 346.21 g/mol. IUPAC: [(3S,8R,9S,10S,13S,14S)-10-(hydroxymethyl)-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 3beta-Acetoxy-19-hydroxyandrost-5-en-17-one
Property Insights of 3beta-Acetoxy-19-hydroxyandrost-5-en-17-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3beta-Acetoxy-19-hydroxyandrost-5-en-17-one. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3beta-Acetoxy-19-hydroxyandrost-5-en-17-one. Following Lipinski's Rule of Five, 3beta-Acetoxy-19-hydroxyandrost-5-en-17-one has 1 hydrogen bond donor(s) and 4 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 3beta-Acetoxy-19-hydroxyandrost-5-en-17-one?
The CAS number of 3beta-Acetoxy-19-hydroxyandrost-5-en-17-one is 28795-86-0.
What is the molecular formula of 3beta-Acetoxy-19-hydroxyandrost-5-en-17-one?
The molecular formula of 3beta-Acetoxy-19-hydroxyandrost-5-en-17-one is C21H30O4.
What is the molecular weight of 3beta-Acetoxy-19-hydroxyandrost-5-en-17-one?
The molecular weight of 3beta-Acetoxy-19-hydroxyandrost-5-en-17-one is 346.21 g/mol.
Where can I buy 3beta-Acetoxy-19-hydroxyandrost-5-en-17-one?
You can request a quote for 3beta-Acetoxy-19-hydroxyandrost-5-en-17-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3beta-Acetoxy-19-hydroxyandrost-5-en-17-one?
Yes, KEHONG BIO provides custom synthesis services for 3beta-Acetoxy-19-hydroxyandrost-5-en-17-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.