(3beta)-3-Acetoxyandrost-5-ene-17-carboxylic acid
TL;DR: (3beta)-3-Acetoxyandrost-5-ene-17-carboxylic acid (CAS 51424-66-9) is a chemical compound with molecular formula C22H32O4 and molecular weight 360.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,8S,9S,10R,13S,14S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid
Also Known As: hydrochloride, EINECS 257-197-3, 3-beta-Acetoxy-5-etiocholenic acid, (3beta)-3-Acetoxyandrost-5-ene-17-carboxylic acid, (-)-3beta-Acetoxy-5-etienic acid
| Molecular Formula | C22H32O4 |
|---|---|
| Molecular Weight | 360.23 g/mol |
| LogP | 4.5817 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 360.23007 |
| Heavy Atoms | 26 |
| Complexity | 652.5277 |
Chemical Identifiers
| CAS Number | 51424-66-9 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4C(=O)O)C)C |
Product Overview
(3beta)-3-Acetoxyandrost-5-ene-17-carboxylic acid (CAS 51424-66-9), with molecular formula C22H32O4 and molecular weight 360.23 g/mol. IUPAC: (3S,8S,9S,10R,13S,14S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid.
Chemical Property Profile of (3beta)-3-Acetoxyandrost-5-ene-17-carboxylic acid
Property Insights of (3beta)-3-Acetoxyandrost-5-ene-17-carboxylic acid
The XLogP value of 4.5817 indicates that (3beta)-3-Acetoxyandrost-5-ene-17-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (3beta)-3-Acetoxyandrost-5-ene-17-carboxylic acid. Following Lipinski's Rule of Five, (3beta)-3-Acetoxyandrost-5-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 (3beta)-3-Acetoxyandrost-5-ene-17-carboxylic acid?
The CAS number of (3beta)-3-Acetoxyandrost-5-ene-17-carboxylic acid is 51424-66-9.
What is the molecular formula of (3beta)-3-Acetoxyandrost-5-ene-17-carboxylic acid?
The molecular formula of (3beta)-3-Acetoxyandrost-5-ene-17-carboxylic acid is C22H32O4.
What is the molecular weight of (3beta)-3-Acetoxyandrost-5-ene-17-carboxylic acid?
The molecular weight of (3beta)-3-Acetoxyandrost-5-ene-17-carboxylic acid is 360.23 g/mol.
Where can I buy (3beta)-3-Acetoxyandrost-5-ene-17-carboxylic acid?
You can request a quote for (3beta)-3-Acetoxyandrost-5-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 (3beta)-3-Acetoxyandrost-5-ene-17-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (3beta)-3-Acetoxyandrost-5-ene-17-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.