7alpha,12alpha-Dihydroxy-3-oxochol-4-en-24-oic Acid
TL;DR: 7alpha,12alpha-Dihydroxy-3-oxochol-4-en-24-oic Acid (CAS 13587-11-6) 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-[(7R,8R,9S,10R,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
Also Known As: 7alpha,12alpha-Dihydroxy-3-oxochol-4-en-24-oic Acid, 7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate, 7a,12a-Dihydroxy-3-oxo-4-cholenoate, 7a,12a-Dihydroxy-3-oxo-4-cholenoic acid, 7alpha,12alpha-dihydroxy-3-oxo-4-cholenoic acid
| Molecular Formula | C24H36O5 |
|---|---|
| Molecular Weight | 404.26 g/mol |
| LogP | 3.577 |
| Topological Polar Surface Area | 94.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.2563 |
| Heavy Atoms | 29 |
| Complexity | 728.78265 |
Chemical Identifiers
| CAS Number | 13587-11-6 |
|---|---|
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)O)O)C |
Product Overview
7alpha,12alpha-Dihydroxy-3-oxochol-4-en-24-oic Acid (CAS 13587-11-6), with molecular formula C24H36O5 and molecular weight 404.26 g/mol. IUPAC: (4R)-4-[(7R,8R,9S,10R,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid.
Chemical Property Profile of 7alpha,12alpha-Dihydroxy-3-oxochol-4-en-24-oic Acid
Property Insights of 7alpha,12alpha-Dihydroxy-3-oxochol-4-en-24-oic Acid
The XLogP value of 3.577 indicates that 7alpha,12alpha-Dihydroxy-3-oxochol-4-en-24-oic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 7alpha,12alpha-Dihydroxy-3-oxochol-4-en-24-oic Acid. Following Lipinski's Rule of Five, 7alpha,12alpha-Dihydroxy-3-oxochol-4-en-24-oic Acid has 3 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 7alpha,12alpha-Dihydroxy-3-oxochol-4-en-24-oic Acid?
The CAS number of 7alpha,12alpha-Dihydroxy-3-oxochol-4-en-24-oic Acid is 13587-11-6.
What is the molecular formula of 7alpha,12alpha-Dihydroxy-3-oxochol-4-en-24-oic Acid?
The molecular formula of 7alpha,12alpha-Dihydroxy-3-oxochol-4-en-24-oic Acid is C24H36O5.
What is the molecular weight of 7alpha,12alpha-Dihydroxy-3-oxochol-4-en-24-oic Acid?
The molecular weight of 7alpha,12alpha-Dihydroxy-3-oxochol-4-en-24-oic Acid is 404.26 g/mol.
Where can I buy 7alpha,12alpha-Dihydroxy-3-oxochol-4-en-24-oic Acid?
You can request a quote for 7alpha,12alpha-Dihydroxy-3-oxochol-4-en-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 7alpha,12alpha-Dihydroxy-3-oxochol-4-en-24-oic Acid?
Yes, KEHONG BIO provides custom synthesis services for 7alpha,12alpha-Dihydroxy-3-oxochol-4-en-24-oic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.