3,7-Diketo-5beta-cholan-24-oic acid
TL;DR: 3,7-Diketo-5beta-cholan-24-oic acid (CAS 28332-53-8) is a chemical compound with molecular formula C24H36O4 and molecular weight 388.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(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-Diketo-5beta-cholan-24-oic acid, 4-(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
| Molecular Formula | C24H36O4 |
|---|---|
| Molecular Weight | 388.26 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.26135 |
| Heavy Atoms | 28 |
| Complexity | 684.0 |
Chemical Identifiers
| CAS Number | 28332-53-8 |
|---|---|
| SMILES | CC(CCC(=O)O)C1CCC2C1(CCC3C2C(=O)CC4C3(CCC(=O)C4)C)C |
| InChIKey | IOOKJGQHLHXYEF-UHFFFAOYSA-N |
Product Overview
3,7-Diketo-5beta-cholan-24-oic acid (CAS 28332-53-8), with molecular formula C24H36O4 and molecular weight 388.26 g/mol. IUPAC: 4-(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 3,7-Diketo-5beta-cholan-24-oic acid
Property Insights of 3,7-Diketo-5beta-cholan-24-oic acid
The XLogP value of 4.2 indicates that 3,7-Diketo-5beta-cholan-24-oic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Diketo-5beta-cholan-24-oic acid. Following Lipinski's Rule of Five, 3,7-Diketo-5beta-cholan-24-oic acid has 1 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 3,7-Diketo-5beta-cholan-24-oic acid?
The CAS number of 3,7-Diketo-5beta-cholan-24-oic acid is 28332-53-8.
What is the molecular formula of 3,7-Diketo-5beta-cholan-24-oic acid?
The molecular formula of 3,7-Diketo-5beta-cholan-24-oic acid is C24H36O4.
What is the molecular weight of 3,7-Diketo-5beta-cholan-24-oic acid?
The molecular weight of 3,7-Diketo-5beta-cholan-24-oic acid is 388.26 g/mol.
Where can I buy 3,7-Diketo-5beta-cholan-24-oic acid?
You can request a quote for 3,7-Diketo-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 3,7-Diketo-5beta-cholan-24-oic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Diketo-5beta-cholan-24-oic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.