12-Hydroxy-3-oxo-1,4-pregnadiene-20-carboxylic acid
TL;DR: 12-Hydroxy-3-oxo-1,4-pregnadiene-20-carboxylic acid (CAS 83440-39-5) is a chemical compound with molecular formula C22H30O4 and molecular weight 358.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(8R,9S,10R,12R,13S,14S,17R)-12-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propanoic acid
Also Known As: 12-Ohopc, KST-1A8463, 12-Hydroxy-3-oxo-1,4-pregnadiene-20-carboxylic acid, 12-hydroxy-3-oxo-1,4-pregnadiene-20-carboxylicacid, 12-Hydroxy-3-oxopregna-1,4-diene-20-carboxylic acid (12beta,20S)-
| Molecular Formula | C22H30O4 |
|---|---|
| Molecular Weight | 358.21 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.21442 |
| Heavy Atoms | 26 |
| Complexity | 707.0 |
Chemical Identifiers
| CAS Number | 83440-39-5 |
|---|---|
| SMILES | C[C@@H]([C@H]1CC[C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)O |
| InChIKey | GOJFQAWHNZEBKB-OICSVGKFSA-N |
Product Overview
12-Hydroxy-3-oxo-1,4-pregnadiene-20-carboxylic acid (CAS 83440-39-5), with molecular formula C22H30O4 and molecular weight 358.21 g/mol. IUPAC: (2S)-2-[(8R,9S,10R,12R,13S,14S,17R)-12-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propanoic acid.
Chemical Property Profile of 12-Hydroxy-3-oxo-1,4-pregnadiene-20-carboxylic acid
Property Insights of 12-Hydroxy-3-oxo-1,4-pregnadiene-20-carboxylic acid
The XLogP value of 3.7 indicates that 12-Hydroxy-3-oxo-1,4-pregnadiene-20-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 12-Hydroxy-3-oxo-1,4-pregnadiene-20-carboxylic acid. Following Lipinski's Rule of Five, 12-Hydroxy-3-oxo-1,4-pregnadiene-20-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 12-Hydroxy-3-oxo-1,4-pregnadiene-20-carboxylic acid?
The CAS number of 12-Hydroxy-3-oxo-1,4-pregnadiene-20-carboxylic acid is 83440-39-5.
What is the molecular formula of 12-Hydroxy-3-oxo-1,4-pregnadiene-20-carboxylic acid?
The molecular formula of 12-Hydroxy-3-oxo-1,4-pregnadiene-20-carboxylic acid is C22H30O4.
What is the molecular weight of 12-Hydroxy-3-oxo-1,4-pregnadiene-20-carboxylic acid?
The molecular weight of 12-Hydroxy-3-oxo-1,4-pregnadiene-20-carboxylic acid is 358.21 g/mol.
Where can I buy 12-Hydroxy-3-oxo-1,4-pregnadiene-20-carboxylic acid?
You can request a quote for 12-Hydroxy-3-oxo-1,4-pregnadiene-20-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Hydroxy-3-oxo-1,4-pregnadiene-20-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 12-Hydroxy-3-oxo-1,4-pregnadiene-20-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.