Lithocholic acid taurine conjugate
TL;DR: Lithocholic acid taurine conjugate (CAS 516-90-5) is a chemical compound with molecular formula C26H45NO5S and molecular weight 483.30185 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]ethanesulfonic acid
Also Known As: Lithocholyltaurine, Tauroursodeoxycholic acid, TAUROLITHOCHOLIC ACID, Lithocholic acid taurine conjugate, Taurolithocholic acid (6CI,7CI)
Technical Specifications
| Molecular Formula | C26H45NO5S |
| Molecular Weight | 483.30185 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 483.30185 Da |
| Heavy Atoms | 33 |
| Complexity | 825.0 |
| SMILES | CC(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)O)C)C |
| InChIKey | QBYUNVOYXHFVKC-JIOVCDOMSA-N |
Product Description
Applications: Lithocholic acid taurine conjugate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Lithocholic acid taurine conjugate (CAS 516-90-5) is a fine chemical with the molecular formula C26H45NO5S and a molecular weight of 483.3 g/mol. Synonyms include Lithocholyltaurine and Tauroursodeoxycholic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Lithocholic acid taurine conjugate
Property Insights of Lithocholic acid taurine conjugate
The XLogP value of 4.9 indicates that Lithocholic acid taurine conjugate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Lithocholic acid taurine conjugate. Following Lipinski's Rule of Five, Lithocholic acid taurine conjugate has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Lithocholic acid taurine conjugate?
The CAS number of Lithocholic acid taurine conjugate is 516-90-5.
What is the molecular formula of Lithocholic acid taurine conjugate?
The molecular formula of Lithocholic acid taurine conjugate is C26H45NO5S.
What is the molecular weight of Lithocholic acid taurine conjugate?
The molecular weight of Lithocholic acid taurine conjugate is 483.30185 g/mol.
What are the applications of Lithocholic acid taurine conjugate?
Lithocholic acid taurine conjugate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA,...
Where can I buy Lithocholic acid taurine conjugate?
You can request a quote for Lithocholic acid taurine conjugate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Lithocholic acid taurine conjugate?
Yes, CoreyChem provides custom synthesis services for Lithocholic acid taurine conjugate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.