17-Oxoandrosta-4,6-dien-3-yl acetate
TL;DR: 17-Oxoandrosta-4,6-dien-3-yl acetate (CAS 25485-36-3) is a chemical compound with molecular formula C21H28O3 and molecular weight 328.20 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-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] acetate
Also Known As: KST-1A3216, 17-Oxoandrosta-4,6-dien-3-yl acetate, 3beta-Acetoxyandrosta-4,6-dien-17-one, (3, A)-17-oxoandrosta-4,6-dien-3-yl acetate
| Molecular Formula | C21H28O3 |
|---|---|
| Molecular Weight | 328.20 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.20386 |
| Heavy Atoms | 24 |
| Complexity | 645.0 |
Chemical Identifiers
| CAS Number | 25485-36-3 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C=CC2=C1)CCC4=O)C)C |
| InChIKey | HTGANGPOQQNFAP-ZKHIMWLXSA-N |
Product Overview
17-Oxoandrosta-4,6-dien-3-yl acetate (CAS 25485-36-3), with molecular formula C21H28O3 and molecular weight 328.20 g/mol. IUPAC: [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 17-Oxoandrosta-4,6-dien-3-yl acetate
Property Insights of 17-Oxoandrosta-4,6-dien-3-yl acetate
The XLogP value of 3.5 indicates that 17-Oxoandrosta-4,6-dien-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, 17-Oxoandrosta-4,6-dien-3-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-Oxoandrosta-4,6-dien-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 17-Oxoandrosta-4,6-dien-3-yl acetate?
The CAS number of 17-Oxoandrosta-4,6-dien-3-yl acetate is 25485-36-3.
What is the molecular formula of 17-Oxoandrosta-4,6-dien-3-yl acetate?
The molecular formula of 17-Oxoandrosta-4,6-dien-3-yl acetate is C21H28O3.
What is the molecular weight of 17-Oxoandrosta-4,6-dien-3-yl acetate?
The molecular weight of 17-Oxoandrosta-4,6-dien-3-yl acetate is 328.20 g/mol.
Where can I buy 17-Oxoandrosta-4,6-dien-3-yl acetate?
You can request a quote for 17-Oxoandrosta-4,6-dien-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 17-Oxoandrosta-4,6-dien-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 17-Oxoandrosta-4,6-dien-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.