3beta-Acetoxyandrost-5-en-17-one
TL;DR: 3beta-Acetoxyandrost-5-en-17-one (CAS 853-23-6) is a chemical compound with molecular formula C21H30O3 and molecular weight 330.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
Also Known As: Prasterone acetate, Dehydroepiandrosterone acetate, Dhea acetate, Dehydroisoandrosterone 3-acetate, Androstenolone acetate
| Molecular Formula | C21H30O3 |
|---|---|
| Molecular Weight | 330.22 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.21948 |
| Heavy Atoms | 24 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 853-23-6 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4=O)C)C |
| InChIKey | NCMZQTLCXHGLOK-ZKHIMWLXSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3beta-Acetoxyandrost-5-en-17-one (CAS 853-23-6), with molecular formula C21H30O3 and molecular weight 330.22 g/mol. IUPAC: [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-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-Acetoxyandrost-5-en-17-one
Property Insights of 3beta-Acetoxyandrost-5-en-17-one
The XLogP value of 3.8 indicates that 3beta-Acetoxyandrost-5-en-17-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 3beta-Acetoxyandrost-5-en-17-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3beta-Acetoxyandrost-5-en-17-one 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 3beta-Acetoxyandrost-5-en-17-one?
The CAS number of 3beta-Acetoxyandrost-5-en-17-one is 853-23-6.
What is the molecular formula of 3beta-Acetoxyandrost-5-en-17-one?
The molecular formula of 3beta-Acetoxyandrost-5-en-17-one is C21H30O3.
What is the molecular weight of 3beta-Acetoxyandrost-5-en-17-one?
The molecular weight of 3beta-Acetoxyandrost-5-en-17-one is 330.22 g/mol.
Where can I buy 3beta-Acetoxyandrost-5-en-17-one?
You can request a quote for 3beta-Acetoxyandrost-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-Acetoxyandrost-5-en-17-one?
Yes, KEHONG BIO provides custom synthesis services for 3beta-Acetoxyandrost-5-en-17-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.