Tauro-3,7-dihydroxy-12-ketocholanoic acid
TL;DR: Tauro-3,7-dihydroxy-12-ketocholanoic acid (CAS 781-33-9) is a chemical compound with molecular formula C26H43NO7S and molecular weight 513.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(4R)-4-[(3R,5S,7R,10S,13R,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
Also Known As: Tauro-3,7-dihydroxy-12-ketocholanoic acid, Tauro-3alpha,7alpha-dihydroxy-12-keto-5beta-cholanoic acid, 3,7-Dihydroxy-12-oxo-N-(2-sulfoethyl)cholan-24-imidic acid, tauro-3 alpha,7 alpha-dihydroxy-12-keto-5 beta-cholanoic acid, 2-{[(3
| Molecular Formula | C26H43NO7S |
|---|---|
| Molecular Weight | 513.28 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 513.276 |
| Heavy Atoms | 35 |
| Complexity | 932.0 |
Chemical Identifiers
| CAS Number | 781-33-9 |
|---|---|
| SMILES | C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2[C@@]1(C(=O)CC3C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C |
| InChIKey | FFCCMCGVGUOGGP-AHBZRTSYSA-N |
Product Overview
Tauro-3,7-dihydroxy-12-ketocholanoic acid (CAS 781-33-9), with molecular formula C26H43NO7S and molecular weight 513.28 g/mol. IUPAC: 2-[[(4R)-4-[(3R,5S,7R,10S,13R,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid.
Chemical Property Profile of Tauro-3,7-dihydroxy-12-ketocholanoic acid
Property Insights of Tauro-3,7-dihydroxy-12-ketocholanoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tauro-3,7-dihydroxy-12-ketocholanoic acid. The TPSA of 149.0 Ų indicates high polarity, suggesting Tauro-3,7-dihydroxy-12-ketocholanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tauro-3,7-dihydroxy-12-ketocholanoic acid has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tauro-3,7-dihydroxy-12-ketocholanoic acid?
The CAS number of Tauro-3,7-dihydroxy-12-ketocholanoic acid is 781-33-9.
What is the molecular formula of Tauro-3,7-dihydroxy-12-ketocholanoic acid?
The molecular formula of Tauro-3,7-dihydroxy-12-ketocholanoic acid is C26H43NO7S.
What is the molecular weight of Tauro-3,7-dihydroxy-12-ketocholanoic acid?
The molecular weight of Tauro-3,7-dihydroxy-12-ketocholanoic acid is 513.28 g/mol.
Where can I buy Tauro-3,7-dihydroxy-12-ketocholanoic acid?
You can request a quote for Tauro-3,7-dihydroxy-12-ketocholanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tauro-3,7-dihydroxy-12-ketocholanoic acid?
Yes, KEHONG BIO provides custom synthesis services for Tauro-3,7-dihydroxy-12-ketocholanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.