Taurodeoxycholate
TL;DR: Taurodeoxycholate (CAS 516-50-7) is a chemical compound with molecular formula C26H45NO6S and molecular weight 499.29675 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-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]pentanoylamino]ethanesulfonic acid
Also Known As: Taurodeoxycholate, Deoxycholyltaurine, TAURODEOXYCHOLIC ACID, Taurine Deoxycholate, SODIUM TAURODEOXYCHOLATE
Technical Specifications
| Molecular Formula | C26H45NO6S |
| Molecular Weight | 499.29675 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 499.29675 Da |
| Heavy Atoms | 34 |
| Complexity | 858.0 |
| SMILES | CC(CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C |
| InChIKey | AWDRATDZQPNJFN-DLYTVZRCSA-N |
Product Description
Applications: Taurodeoxycholate 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).
Taurodeoxycholate is a fine chemical identified by CAS number 516-50-7 and the molecular formula C26H45NO6S and a molecular weight of 499.3 g/mol. Synonyms include Taurodeoxycholate and Deoxycholyltaurine.
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 Taurodeoxycholate
Property Insights of Taurodeoxycholate
The XLogP value of 3.6 indicates that Taurodeoxycholate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Taurodeoxycholate. Following Lipinski's Rule of Five, Taurodeoxycholate has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Taurodeoxycholate?
The CAS number of Taurodeoxycholate is 516-50-7.
What is the molecular formula of Taurodeoxycholate?
The molecular formula of Taurodeoxycholate is C26H45NO6S.
What is the molecular weight of Taurodeoxycholate?
The molecular weight of Taurodeoxycholate is 499.29675 g/mol.
What are the applications of Taurodeoxycholate?
Taurodeoxycholate 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).
Where can I buy Taurodeoxycholate?
You can request a quote for Taurodeoxycholate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Taurodeoxycholate?
Yes, CoreyChem provides custom synthesis services for Taurodeoxycholate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.