12alpha-Hydroxy-3,7-dioxo-5beta-cholan-24-oic Acid
TL;DR: 12alpha-Hydroxy-3,7-dioxo-5beta-cholan-24-oic Acid (CAS 2304-92-9) is a chemical compound with molecular formula C24H36O5 and molecular weight 404.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-4-[(5S,8R,9S,10S,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Also Known As: 3,7-Diketocholic acid, Cholic Acid Impurity 13, Cholic Acid Impurity 20, Ursodeoxycholic acid impurity 43, 12alpha-Hydroxy-3,7-dioxo-5beta-cholan-24-oic Acid
| Molecular Formula | C24H36O5 |
|---|---|
| Molecular Weight | 404.26 g/mol |
| LogP | 3.8651 |
| Topological Polar Surface Area | 91.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.2563 |
| Heavy Atoms | 29 |
| Complexity | 716.0596 |
Chemical Identifiers
| CAS Number | 2304-92-9 |
|---|---|
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CCC(=O)C4)C)O)C |
Product Overview
12alpha-Hydroxy-3,7-dioxo-5beta-cholan-24-oic Acid (CAS 2304-92-9), with molecular formula C24H36O5 and molecular weight 404.26 g/mol. IUPAC: (4R)-4-[(5S,8R,9S,10S,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid.
Chemical Property Profile of 12alpha-Hydroxy-3,7-dioxo-5beta-cholan-24-oic Acid
Property Insights of 12alpha-Hydroxy-3,7-dioxo-5beta-cholan-24-oic Acid
The XLogP value of 3.8651 indicates that 12alpha-Hydroxy-3,7-dioxo-5beta-cholan-24-oic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 12alpha-Hydroxy-3,7-dioxo-5beta-cholan-24-oic Acid. Following Lipinski's Rule of Five, 12alpha-Hydroxy-3,7-dioxo-5beta-cholan-24-oic 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 12alpha-Hydroxy-3,7-dioxo-5beta-cholan-24-oic Acid?
The CAS number of 12alpha-Hydroxy-3,7-dioxo-5beta-cholan-24-oic Acid is 2304-92-9.
What is the molecular formula of 12alpha-Hydroxy-3,7-dioxo-5beta-cholan-24-oic Acid?
The molecular formula of 12alpha-Hydroxy-3,7-dioxo-5beta-cholan-24-oic Acid is C24H36O5.
What is the molecular weight of 12alpha-Hydroxy-3,7-dioxo-5beta-cholan-24-oic Acid?
The molecular weight of 12alpha-Hydroxy-3,7-dioxo-5beta-cholan-24-oic Acid is 404.26 g/mol.
Where can I buy 12alpha-Hydroxy-3,7-dioxo-5beta-cholan-24-oic Acid?
You can request a quote for 12alpha-Hydroxy-3,7-dioxo-5beta-cholan-24-oic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12alpha-Hydroxy-3,7-dioxo-5beta-cholan-24-oic Acid?
Yes, KEHONG BIO provides custom synthesis services for 12alpha-Hydroxy-3,7-dioxo-5beta-cholan-24-oic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.