20-Hydroxy-3-oxo-4-pregnen-21-carboxylic acid
TL;DR: 20-Hydroxy-3-oxo-4-pregnen-21-carboxylic acid (CAS 32306-30-2) is a chemical compound with molecular formula C21H30O4 and molecular weight 346.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[(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]phenanthren-17-yl]-2-hydroxyacetic acid
Also Known As: Pregnolic acid, 20-Hydroxy-3-keto-4-pregnen-21-oic acid, KST-1A3792, 20-R-Hydroxy-3-oxo-4-pregnen-21-oic acid, (20r)-20-hydroxy-3-oxopregn-4-en-21-oic acid
| Molecular Formula | C21H30O4 |
|---|---|
| Molecular Weight | 346.21 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 346.21442 |
| Heavy Atoms | 25 |
| Complexity | 638.0 |
Chemical Identifiers
| CAS Number | 32306-30-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2[C@H](C(=O)O)O)CCC4=CC(=O)CC[C@]34C |
| InChIKey | IOLANHYQSJTGAC-WGKOQXAXSA-N |
Product Overview
20-Hydroxy-3-oxo-4-pregnen-21-carboxylic acid (CAS 32306-30-2), with molecular formula C21H30O4 and molecular weight 346.21 g/mol. IUPAC: (2R)-2-[(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]phenanthren-17-yl]-2-hydroxyacetic acid.
Chemical Property Profile of 20-Hydroxy-3-oxo-4-pregnen-21-carboxylic acid
Property Insights of 20-Hydroxy-3-oxo-4-pregnen-21-carboxylic acid
The XLogP value of 3.4 indicates that 20-Hydroxy-3-oxo-4-pregnen-21-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 20-Hydroxy-3-oxo-4-pregnen-21-carboxylic acid. Following Lipinski's Rule of Five, 20-Hydroxy-3-oxo-4-pregnen-21-carboxylic acid has 2 hydrogen bond donor(s) and 4 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 20-Hydroxy-3-oxo-4-pregnen-21-carboxylic acid?
The CAS number of 20-Hydroxy-3-oxo-4-pregnen-21-carboxylic acid is 32306-30-2.
What is the molecular formula of 20-Hydroxy-3-oxo-4-pregnen-21-carboxylic acid?
The molecular formula of 20-Hydroxy-3-oxo-4-pregnen-21-carboxylic acid is C21H30O4.
What is the molecular weight of 20-Hydroxy-3-oxo-4-pregnen-21-carboxylic acid?
The molecular weight of 20-Hydroxy-3-oxo-4-pregnen-21-carboxylic acid is 346.21 g/mol.
Where can I buy 20-Hydroxy-3-oxo-4-pregnen-21-carboxylic acid?
You can request a quote for 20-Hydroxy-3-oxo-4-pregnen-21-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 20-Hydroxy-3-oxo-4-pregnen-21-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 20-Hydroxy-3-oxo-4-pregnen-21-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.