(17beta)-3-Oxoandrost-4-ene-17-carboxylic acid
TL;DR: (17beta)-3-Oxoandrost-4-ene-17-carboxylic acid (CAS 302-97-6) is a chemical compound with molecular formula C20H28O3 and molecular weight 316.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxylic acid
Also Known As: Etienic acid, 3-Keto-4-etiocholenic acid, AOBCA, 4-Androsten-3-one-5-ene-17-carboxylic acid, AD-ACID
| Molecular Formula | C20H28O3 |
|---|---|
| Molecular Weight | 316.20 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.20386 |
| Heavy Atoms | 23 |
| Complexity | 592.0 |
Chemical Identifiers
| CAS Number | 302-97-6 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)O)CCC4=CC(=O)CC[C@]34C |
| InChIKey | YQACAXHKQZCEOI-UDCWSGSHSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(17beta)-3-Oxoandrost-4-ene-17-carboxylic acid (CAS 302-97-6), with molecular formula C20H28O3 and molecular weight 316.20 g/mol. IUPAC: (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxylic acid.
Chemical Property Profile of (17beta)-3-Oxoandrost-4-ene-17-carboxylic acid
Property Insights of (17beta)-3-Oxoandrost-4-ene-17-carboxylic acid
The XLogP value of 3.7 indicates that (17beta)-3-Oxoandrost-4-ene-17-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, (17beta)-3-Oxoandrost-4-ene-17-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (17beta)-3-Oxoandrost-4-ene-17-carboxylic acid has 1 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 (17beta)-3-Oxoandrost-4-ene-17-carboxylic acid?
The CAS number of (17beta)-3-Oxoandrost-4-ene-17-carboxylic acid is 302-97-6.
What is the molecular formula of (17beta)-3-Oxoandrost-4-ene-17-carboxylic acid?
The molecular formula of (17beta)-3-Oxoandrost-4-ene-17-carboxylic acid is C20H28O3.
What is the molecular weight of (17beta)-3-Oxoandrost-4-ene-17-carboxylic acid?
The molecular weight of (17beta)-3-Oxoandrost-4-ene-17-carboxylic acid is 316.20 g/mol.
Where can I buy (17beta)-3-Oxoandrost-4-ene-17-carboxylic acid?
You can request a quote for (17beta)-3-Oxoandrost-4-ene-17-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (17beta)-3-Oxoandrost-4-ene-17-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (17beta)-3-Oxoandrost-4-ene-17-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.