Pregna-1,4-diene-20-carboxylic acid, 12-hydroxy-3-oxo-, (12alpha)-
TL;DR: Pregna-1,4-diene-20-carboxylic acid, 12-hydroxy-3-oxo-, (12alpha)- (CAS 59476-83-4) 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.
2-[(8R,9S,10R,12S,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: C22-H3O-O4, 5,5-dimethyl-1,2-oxaphosphol-3-ene, Pregna-1,4-diene-20-carboxylic acid, 12-hydroxy-3-oxo-, (12alpha)-, Pregna-1,4-diene-20-carboxylic acid, 12-hydroxy-3-oxo-, (12beta,20S)-, 2-((8R,9S,10R,12S,13S,14S,17R)-12-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)propanoic acid
| 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 | 59476-83-4 |
|---|---|
| SMILES | CC([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-FETJCDNZSA-N |
Product Overview
Pregna-1,4-diene-20-carboxylic acid, 12-hydroxy-3-oxo-, (12alpha)- (CAS 59476-83-4), with molecular formula C22H30O4 and molecular weight 358.21 g/mol. IUPAC: 2-[(8R,9S,10R,12S,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 Pregna-1,4-diene-20-carboxylic acid, 12-hydroxy-3-oxo-, (12alpha)-
Property Insights of Pregna-1,4-diene-20-carboxylic acid, 12-hydroxy-3-oxo-, (12alpha)-
The XLogP value of 3.7 indicates that Pregna-1,4-diene-20-carboxylic acid, 12-hydroxy-3-oxo-, (12alpha)- 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 Pregna-1,4-diene-20-carboxylic acid, 12-hydroxy-3-oxo-, (12alpha)-. Following Lipinski's Rule of Five, Pregna-1,4-diene-20-carboxylic acid, 12-hydroxy-3-oxo-, (12alpha)- 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 Pregna-1,4-diene-20-carboxylic acid, 12-hydroxy-3-oxo-, (12alpha)-?
The CAS number of Pregna-1,4-diene-20-carboxylic acid, 12-hydroxy-3-oxo-, (12alpha)- is 59476-83-4.
What is the molecular formula of Pregna-1,4-diene-20-carboxylic acid, 12-hydroxy-3-oxo-, (12alpha)-?
The molecular formula of Pregna-1,4-diene-20-carboxylic acid, 12-hydroxy-3-oxo-, (12alpha)- is C22H30O4.
What is the molecular weight of Pregna-1,4-diene-20-carboxylic acid, 12-hydroxy-3-oxo-, (12alpha)-?
The molecular weight of Pregna-1,4-diene-20-carboxylic acid, 12-hydroxy-3-oxo-, (12alpha)- is 358.21 g/mol.
Where can I buy Pregna-1,4-diene-20-carboxylic acid, 12-hydroxy-3-oxo-, (12alpha)-?
You can request a quote for Pregna-1,4-diene-20-carboxylic acid, 12-hydroxy-3-oxo-, (12alpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pregna-1,4-diene-20-carboxylic acid, 12-hydroxy-3-oxo-, (12alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Pregna-1,4-diene-20-carboxylic acid, 12-hydroxy-3-oxo-, (12alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.