sodium taurocholate
TL;DR: sodium taurocholate (CAS 145-42-6) is a chemical compound with molecular formula C26H44NNaO7S and molecular weight 537.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 2-[4-(3,7,12-trihydroxy-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]ethanesulfonate
Also Known As: sodium taurocholate, Taurocholate sodium, TAUROCHOLIC ACID, Taurocholate sodium salt, Sodium N-choloyltaurinate
| Molecular Formula | C26H44NNaO7S |
|---|---|
| Molecular Weight | 537.27 g/mol |
| LogP | -0.97 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 537.2736 |
| Heavy Atoms | 36 |
| Complexity | 897.0 |
Chemical Identifiers
| CAS Number | 145-42-6 |
|---|---|
| SMILES | CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+] |
| InChIKey | JAJWGJBVLPIOOH-UHFFFAOYSA-M |
Product Overview
sodium taurocholate (CAS 145-42-6), with molecular formula C26H44NNaO7S and molecular weight 537.27 g/mol. IUPAC: sodium 2-[4-(3,7,12-trihydroxy-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]ethanesulfonate.
Chemical Property Profile of sodium taurocholate
Property Insights of sodium taurocholate
The XLogP value of -0.97 indicates that sodium taurocholate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.0 Ų indicates high polarity, suggesting sodium taurocholate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, sodium taurocholate has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of sodium taurocholate?
The CAS number of sodium taurocholate is 145-42-6.
What is the molecular formula of sodium taurocholate?
The molecular formula of sodium taurocholate is C26H44NNaO7S.
What is the molecular weight of sodium taurocholate?
The molecular weight of sodium taurocholate is 537.27 g/mol.
Where can I buy sodium taurocholate?
You can request a quote for sodium taurocholate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for sodium taurocholate?
Yes, KEHONG BIO provides custom synthesis services for sodium taurocholate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.