Methyl 5-beta-cholan-3,7-dione-24-oate
TL;DR: Methyl 5-beta-cholan-3,7-dione-24-oate (CAS 7753-72-2) is a chemical compound with molecular formula C25H38O4 and molecular weight 402.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 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)pentanoate
Also Known As: Methyl 5-beta-cholan-3,7-dione-24-oate, Urosodeoxycholic Acid EP Impurity Q, 3-Oxo-7b-hydroxy-5b-cholanoic acid, Methyl 3,7-dioxocholan-24-oate, Methyl 5-.beta.-cholan-3,7-dione-24-oate
| Molecular Formula | C25H38O4 |
|---|---|
| Molecular Weight | 402.28 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.277 |
| Heavy Atoms | 29 |
| Complexity | 699.0 |
Chemical Identifiers
| CAS Number | 7753-72-2 |
|---|---|
| SMILES | CC(CCC(=O)OC)C1CCC2C1(CCC3C2C(=O)CC4C3(CCC(=O)C4)C)C |
| InChIKey | UZRRNRRCPZZPNY-UHFFFAOYSA-N |
Product Overview
Methyl 5-beta-cholan-3,7-dione-24-oate (CAS 7753-72-2), with molecular formula C25H38O4 and molecular weight 402.28 g/mol. IUPAC: methyl 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)pentanoate.
Chemical Property Profile of Methyl 5-beta-cholan-3,7-dione-24-oate
Property Insights of Methyl 5-beta-cholan-3,7-dione-24-oate
The XLogP value of 4.5 indicates that Methyl 5-beta-cholan-3,7-dione-24-oate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-beta-cholan-3,7-dione-24-oate. Following Lipinski's Rule of Five, Methyl 5-beta-cholan-3,7-dione-24-oate has 0 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 Methyl 5-beta-cholan-3,7-dione-24-oate?
The CAS number of Methyl 5-beta-cholan-3,7-dione-24-oate is 7753-72-2.
What is the molecular formula of Methyl 5-beta-cholan-3,7-dione-24-oate?
The molecular formula of Methyl 5-beta-cholan-3,7-dione-24-oate is C25H38O4.
What is the molecular weight of Methyl 5-beta-cholan-3,7-dione-24-oate?
The molecular weight of Methyl 5-beta-cholan-3,7-dione-24-oate is 402.28 g/mol.
Where can I buy Methyl 5-beta-cholan-3,7-dione-24-oate?
You can request a quote for Methyl 5-beta-cholan-3,7-dione-24-oate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-beta-cholan-3,7-dione-24-oate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-beta-cholan-3,7-dione-24-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.