17-Hydroxy-3,11-dioxoandrost-4-ene-17-carboxylic acid
TL;DR: 17-Hydroxy-3,11-dioxoandrost-4-ene-17-carboxylic acid (CAS 3597-44-2) is a chemical compound with molecular formula C20H26O5 and molecular weight 346.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17-carboxylic acid
Also Known As: 17-Hydroxy-3,11-dioxoandrost-4-ene-17-carboxylic acid, 17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17-carboxylic acid
| Molecular Formula | C20H26O5 |
|---|---|
| Molecular Weight | 346.18 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 346.178 |
| Heavy Atoms | 25 |
| Complexity | 709.0 |
Chemical Identifiers
| CAS Number | 3597-44-2 |
|---|---|
| SMILES | CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)O)O)C |
| InChIKey | CULWSMXOZXJGRW-UHFFFAOYSA-N |
Product Overview
17-Hydroxy-3,11-dioxoandrost-4-ene-17-carboxylic acid (CAS 3597-44-2), with molecular formula C20H26O5 and molecular weight 346.18 g/mol. IUPAC: 17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17-carboxylic acid.
Chemical Property Profile of 17-Hydroxy-3,11-dioxoandrost-4-ene-17-carboxylic acid
Property Insights of 17-Hydroxy-3,11-dioxoandrost-4-ene-17-carboxylic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17-Hydroxy-3,11-dioxoandrost-4-ene-17-carboxylic acid. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-Hydroxy-3,11-dioxoandrost-4-ene-17-carboxylic acid. Following Lipinski's Rule of Five, 17-Hydroxy-3,11-dioxoandrost-4-ene-17-carboxylic acid has 2 hydrogen bond donor(s) and 5 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-Hydroxy-3,11-dioxoandrost-4-ene-17-carboxylic acid?
The CAS number of 17-Hydroxy-3,11-dioxoandrost-4-ene-17-carboxylic acid is 3597-44-2.
What is the molecular formula of 17-Hydroxy-3,11-dioxoandrost-4-ene-17-carboxylic acid?
The molecular formula of 17-Hydroxy-3,11-dioxoandrost-4-ene-17-carboxylic acid is C20H26O5.
What is the molecular weight of 17-Hydroxy-3,11-dioxoandrost-4-ene-17-carboxylic acid?
The molecular weight of 17-Hydroxy-3,11-dioxoandrost-4-ene-17-carboxylic acid is 346.18 g/mol.
Where can I buy 17-Hydroxy-3,11-dioxoandrost-4-ene-17-carboxylic acid?
You can request a quote for 17-Hydroxy-3,11-dioxoandrost-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 17-Hydroxy-3,11-dioxoandrost-4-ene-17-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 17-Hydroxy-3,11-dioxoandrost-4-ene-17-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.