Tauro-7,12-dihydroxycholanic acid
TL;DR: Tauro-7,12-dihydroxycholanic acid (CAS 5571-91-5) is a chemical compound with molecular formula C26H45NO6S and molecular weight 499.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(4R)-4-[(5S,7R,10S,12S,13R,17R)-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
Also Known As: Tauro-7,12-dihydroxycholanic acid, Tauro-7alpha,12alpha-dihydroxy-5beta-cholanic acid, 7,12-Dihydroxy-N-(2-sulfoethyl)cholan-24-imidic acid, tauro-7 alpha,12 alpha-dihydroxy-5 beta-cholanic acid, Ethanesulfonic acid, 2-(((5beta,7alpha,12alpha)-7,12-dihydroxy-24-oxocholan-24-yl)amino)-
| Molecular Formula | C26H45NO6S |
|---|---|
| Molecular Weight | 499.30 g/mol |
| LogP | 3.3973 |
| Topological Polar Surface Area | 123.93 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 499.29675 |
| Heavy Atoms | 34 |
| Complexity | 863.3522 |
Chemical Identifiers
| CAS Number | 5571-91-5 |
|---|---|
| SMILES | C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CCCC4)C)O)O)C |
Product Overview
Tauro-7,12-dihydroxycholanic acid (CAS 5571-91-5), with molecular formula C26H45NO6S and molecular weight 499.30 g/mol. IUPAC: 2-[[(4R)-4-[(5S,7R,10S,12S,13R,17R)-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid.
Chemical Property Profile of Tauro-7,12-dihydroxycholanic acid
Property Insights of Tauro-7,12-dihydroxycholanic acid
The XLogP value of 3.3973 indicates that Tauro-7,12-dihydroxycholanic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Tauro-7,12-dihydroxycholanic acid. Following Lipinski's Rule of Five, Tauro-7,12-dihydroxycholanic acid has 4 hydrogen bond donor(s) and 5 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 Tauro-7,12-dihydroxycholanic acid?
The CAS number of Tauro-7,12-dihydroxycholanic acid is 5571-91-5.
What is the molecular formula of Tauro-7,12-dihydroxycholanic acid?
The molecular formula of Tauro-7,12-dihydroxycholanic acid is C26H45NO6S.
What is the molecular weight of Tauro-7,12-dihydroxycholanic acid?
The molecular weight of Tauro-7,12-dihydroxycholanic acid is 499.30 g/mol.
Where can I buy Tauro-7,12-dihydroxycholanic acid?
You can request a quote for Tauro-7,12-dihydroxycholanic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tauro-7,12-dihydroxycholanic acid?
Yes, KEHONG BIO provides custom synthesis services for Tauro-7,12-dihydroxycholanic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.