3,7,12-Triketocholansaure
TL;DR: 3,7,12-Triketocholansaure (CAS 7276-59-7) is a chemical compound with molecular formula C24H34O5 and molecular weight 402.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-4-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
Also Known As: dehydrocholic acid, dehydrocholicacid, 3,7,12-Triketocholansaure, Purified dehydrocholic acid, 3,7,12-Trioxocholane-24-oic acid
| Molecular Formula | C24H34O5 |
|---|---|
| Molecular Weight | 402.24 g/mol |
| LogP | 4.0733 |
| Topological Polar Surface Area | 88.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.24063 |
| Heavy Atoms | 29 |
| Complexity | 756.37 |
Chemical Identifiers
| CAS Number | 7276-59-7 |
|---|---|
| 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)CC4[C@@]3(CCC(=O)C4)C)C |
Product Overview
3,7,12-Triketocholansaure (CAS 7276-59-7), with molecular formula C24H34O5 and molecular weight 402.24 g/mol. IUPAC: (4R)-4-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid.
Chemical Property Profile of 3,7,12-Triketocholansaure
Property Insights of 3,7,12-Triketocholansaure
The XLogP value of 4.0733 indicates that 3,7,12-Triketocholansaure is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7,12-Triketocholansaure. Following Lipinski's Rule of Five, 3,7,12-Triketocholansaure 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 3,7,12-Triketocholansaure?
The CAS number of 3,7,12-Triketocholansaure is 7276-59-7.
What is the molecular formula of 3,7,12-Triketocholansaure?
The molecular formula of 3,7,12-Triketocholansaure is C24H34O5.
What is the molecular weight of 3,7,12-Triketocholansaure?
The molecular weight of 3,7,12-Triketocholansaure is 402.24 g/mol.
Where can I buy 3,7,12-Triketocholansaure?
You can request a quote for 3,7,12-Triketocholansaure directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7,12-Triketocholansaure?
Yes, KEHONG BIO provides custom synthesis services for 3,7,12-Triketocholansaure and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.