Taurolithocholic acid 3-sulfate
TL;DR: Taurolithocholic acid 3-sulfate (CAS 153241-12-4) is a chemical compound with molecular formula C26H45NO8S2 and molecular weight 563.25867 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[(4R)-4-[(3R,5R,8R,9S,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: Slct-3-sulfate, Taurolithocholate sulfate, Taurolithocholic acid 3-sulfate, TLC-S, Slct-3-sulphate
Technical Specifications
| Molecular Formula | C26H45NO8S2 |
| Molecular Weight | 563.25867 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 164.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 563.25867 Da |
| Heavy Atoms | 37 |
| Complexity | 1050.0 |
| SMILES | C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)C |
| InChIKey | HSNPMXROZIQAQD-GBURMNQMSA-N |
Chemical Property Profile of Taurolithocholic acid 3-sulfate
Property Insights of Taurolithocholic acid 3-sulfate
The XLogP value of 4.5 indicates that Taurolithocholic acid 3-sulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.0 Ų indicates high polarity, suggesting Taurolithocholic acid 3-sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Taurolithocholic acid 3-sulfate has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Taurolithocholic acid 3-sulfate?
The CAS number of Taurolithocholic acid 3-sulfate is 153241-12-4.
What is the molecular formula of Taurolithocholic acid 3-sulfate?
The molecular formula of Taurolithocholic acid 3-sulfate is C26H45NO8S2.
What is the molecular weight of Taurolithocholic acid 3-sulfate?
The molecular weight of Taurolithocholic acid 3-sulfate is 563.25867 g/mol.
Where can I buy Taurolithocholic acid 3-sulfate?
You can request a quote for Taurolithocholic acid 3-sulfate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Taurolithocholic acid 3-sulfate?
Yes, CoreyChem provides custom synthesis services for Taurolithocholic acid 3-sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.