3-酮胆酸
TL;DR: 3-酮胆酸 (CAS 16265-24-0) is a chemical compound with molecular formula C24H38O5 and molecular weight 406.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-酮胆酸
4-(7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid
Also Known As: 3-Oxocholic acid, 3-Oxo-7a,12a-dihydroxy-5b-cholanic acid, 3-Keto-7a,12a-dihydroxy-5a-cholanic Acid, 4CH-024844, 3-Keto-7 ,12 -dihydroxy-5 -cholanic Acid
| Molecular Formula | C24H38O5 |
|---|---|
| Molecular Weight | 406.27 g/mol |
| LogP | 3.6569 |
| Topological Polar Surface Area | 94.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.2719 |
| Heavy Atoms | 29 |
| Complexity | 676.1822 |
Chemical Identifiers
| CAS Number | 16265-24-0 |
|---|---|
| SMILES | CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(=O)C4)C)O)O)C |
Product Overview
3-酮胆酸 (CAS 16265-24-0), with molecular formula C24H38O5 and molecular weight 406.27 g/mol. IUPAC: 4-(7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid.
Chemical Property Profile of 3-酮胆酸
Property Insights of 3-酮胆酸
The XLogP value of 3.6569 indicates that 3-酮胆酸 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 3-酮胆酸. Following Lipinski's Rule of Five, 3-酮胆酸 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 3-酮胆酸?
The CAS number of 3-酮胆酸 is 16265-24-0.
What is the molecular formula of 3-酮胆酸?
The molecular formula of 3-酮胆酸 is C24H38O5.
What is the molecular weight of 3-酮胆酸?
The molecular weight of 3-酮胆酸 is 406.27 g/mol.
Where can I buy 3-酮胆酸?
You can request a quote for 3-酮胆酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-酮胆酸?
Yes, KEHONG BIO provides custom synthesis services for 3-酮胆酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.