3beta-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid
TL;DR: 3beta-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid (CAS 3615-35-8) 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-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7,12-dioxo-2,3,4,5,6,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Also Known As: 3beta-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid, 3beta-Hydroxy-7,12-dioxocholanic acid, (3I(2),5I(2))-3-Hydroxy-7,12-dioxocholan-24-oic acid, (4R)-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7,12-dioxo-2,3,4,5,6,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid, (4R)-4-[(1R,3aS,3bR,5aS,7S,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethyl-4,11-dioxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic 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 | 3615-35-8 |
|---|---|
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@@H](C4)O)C)C |
Product Overview
3beta-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid (CAS 3615-35-8), with molecular formula C24H36O5 and molecular weight 404.26 g/mol. IUPAC: (4R)-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7,12-dioxo-2,3,4,5,6,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid.
Chemical Property Profile of 3beta-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid
Property Insights of 3beta-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid
The XLogP value of 3.8651 indicates that 3beta-Hydroxy-7,12-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 3beta-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid. Following Lipinski's Rule of Five, 3beta-Hydroxy-7,12-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 3beta-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid?
The CAS number of 3beta-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid is 3615-35-8.
What is the molecular formula of 3beta-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid?
The molecular formula of 3beta-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid is C24H36O5.
What is the molecular weight of 3beta-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid?
The molecular weight of 3beta-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid is 404.26 g/mol.
Where can I buy 3beta-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid?
You can request a quote for 3beta-Hydroxy-7,12-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 3beta-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3beta-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.