3alpha-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid
TL;DR: 3alpha-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid (CAS 517-33-9) 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.
4-(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: 3alpha-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid, (4R)-4-[(3R,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, 4-(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
| Molecular Formula | C24H36O5 |
|---|---|
| Molecular Weight | 404.26 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.2563 |
| Heavy Atoms | 29 |
| Complexity | 716.0 |
Chemical Identifiers
| CAS Number | 517-33-9 |
|---|---|
| SMILES | CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(C4)O)C)C |
| InChIKey | MAFJMPFLJJCSTB-UHFFFAOYSA-N |
Product Overview
3alpha-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid (CAS 517-33-9), with molecular formula C24H36O5 and molecular weight 404.26 g/mol. IUPAC: 4-(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 3alpha-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid
Property Insights of 3alpha-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid
The XLogP value of 3.0 indicates that 3alpha-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 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3alpha-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid. Following Lipinski's Rule of Five, 3alpha-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid has 2 hydrogen bond donor(s) and 5 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 3alpha-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid?
The CAS number of 3alpha-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid is 517-33-9.
What is the molecular formula of 3alpha-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid?
The molecular formula of 3alpha-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid is C24H36O5.
What is the molecular weight of 3alpha-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid?
The molecular weight of 3alpha-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid is 404.26 g/mol.
Where can I buy 3alpha-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid?
You can request a quote for 3alpha-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 3alpha-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3alpha-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.