3,6,7,12-Tetrahydroxycholanoic acid
TL;DR: 3,6,7,12-Tetrahydroxycholanoic acid (CAS 70826-95-8) is a chemical compound with molecular formula C24H40O6 and molecular weight 424.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-4-[(8R,9S,10R,13R,14S,17R)-3,6,7,12-tetrahydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Also Known As: ycholanoic acid, 3,6,7,12-Tetrahydroxycholanoic acid, 3,6,7,12-Tetrahydroxy-cholanic acid, Tri-O-formylcholic acid, 3,6,7,12-tetrahydrox
| Molecular Formula | C24H40O6 |
|---|---|
| Molecular Weight | 424.28 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.2825 |
| Heavy Atoms | 30 |
| Complexity | 668.0 |
Chemical Identifiers
| CAS Number | 70826-95-8 |
|---|---|
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(C[C@H]3[C@H]2C(C(C4[C@@]3(CCC(C4)O)C)O)O)O)C |
| InChIKey | COCMFMBNEAMQMA-OPIZJWLHSA-N |
Product Overview
3,6,7,12-Tetrahydroxycholanoic acid (CAS 70826-95-8), with molecular formula C24H40O6 and molecular weight 424.28 g/mol. IUPAC: (4R)-4-[(8R,9S,10R,13R,14S,17R)-3,6,7,12-tetrahydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid.
Chemical Property Profile of 3,6,7,12-Tetrahydroxycholanoic acid
Property Insights of 3,6,7,12-Tetrahydroxycholanoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6,7,12-Tetrahydroxycholanoic acid. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6,7,12-Tetrahydroxycholanoic acid. Following Lipinski's Rule of Five, 3,6,7,12-Tetrahydroxycholanoic acid has 5 hydrogen bond donor(s) and 6 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 3,6,7,12-Tetrahydroxycholanoic acid?
The CAS number of 3,6,7,12-Tetrahydroxycholanoic acid is 70826-95-8.
What is the molecular formula of 3,6,7,12-Tetrahydroxycholanoic acid?
The molecular formula of 3,6,7,12-Tetrahydroxycholanoic acid is C24H40O6.
What is the molecular weight of 3,6,7,12-Tetrahydroxycholanoic acid?
The molecular weight of 3,6,7,12-Tetrahydroxycholanoic acid is 424.28 g/mol.
Where can I buy 3,6,7,12-Tetrahydroxycholanoic acid?
You can request a quote for 3,6,7,12-Tetrahydroxycholanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6,7,12-Tetrahydroxycholanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,6,7,12-Tetrahydroxycholanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.