Taurolithocholate sulfate
TL;DR: Taurolithocholate sulfate (CAS 64936-83-0) is a chemical compound with molecular formula C26H45NO8S2 and molecular weight 563.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(4R)-4-[(3R,5R,8R,10S,13R,14S,17R)-10,13-dimethyl-3-sulfooxy-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: Taurolithocholate sulfate, Taurolithocholic acid 3-sulfate, 2-[[(4R)-4-[(3R,5R,8R,10S,13R,14S,17R)-10,13-dimethyl-3-sulfooxy-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, Ethanesulfonic acid, 2-(((3.alpha., 5.beta.)-24-oxo-3-(sulfooxy)cholan-24-yl)amino)-
| Molecular Formula | C26H45NO8S2 |
|---|---|
| Molecular Weight | 563.26 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 563.25867 |
| Heavy Atoms | 37 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 64936-83-0 |
|---|---|
| SMILES | C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CCC3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)C |
| InChIKey | HSNPMXROZIQAQD-AWCCYIHTSA-N |
Product Overview
Taurolithocholate sulfate (CAS 64936-83-0), with molecular formula C26H45NO8S2 and molecular weight 563.26 g/mol. IUPAC: 2-[[(4R)-4-[(3R,5R,8R,10S,13R,14S,17R)-10,13-dimethyl-3-sulfooxy-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 Taurolithocholate sulfate
Property Insights of Taurolithocholate sulfate
The XLogP value of 4.5 indicates that Taurolithocholate sulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.0 Ų indicates high polarity, suggesting Taurolithocholate sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Taurolithocholate sulfate has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Taurolithocholate sulfate?
The CAS number of Taurolithocholate sulfate is 64936-83-0.
What is the molecular formula of Taurolithocholate sulfate?
The molecular formula of Taurolithocholate sulfate is C26H45NO8S2.
What is the molecular weight of Taurolithocholate sulfate?
The molecular weight of Taurolithocholate sulfate is 563.26 g/mol.
Where can I buy Taurolithocholate sulfate?
You can request a quote for Taurolithocholate sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Taurolithocholate sulfate?
Yes, KEHONG BIO provides custom synthesis services for Taurolithocholate sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.