taurodeoxycholic acid, sodium salt
TL;DR: taurodeoxycholic acid, sodium salt (CAS 1180-95-6) is a chemical compound with molecular formula C26H44NNaO6S and molecular weight 521.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 2-[4-(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]ethanesulfonate
Also Known As: Sodium taurodeoxylate, SODIUM TAURODEOXYCHOLATE, Taurodeoxycholic acid sodium salt, TAURODEOXYCHOLIC ACID, Taurodeoxycholate sodium salt
| Molecular Formula | C26H44NNaO6S |
|---|---|
| Molecular Weight | 521.28 g/mol |
| LogP | 0.0587 |
| Topological Polar Surface Area | 126.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 521.2787 |
| Heavy Atoms | 35 |
| Complexity | 869.9033 |
Chemical Identifiers
| CAS Number | 1180-95-6 |
|---|---|
| SMILES | CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.[Na+] |
Product Overview
taurodeoxycholic acid, sodium salt (CAS 1180-95-6), with molecular formula C26H44NNaO6S and molecular weight 521.28 g/mol. IUPAC: sodium 2-[4-(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]ethanesulfonate.
Chemical Property Profile of taurodeoxycholic acid, sodium salt
Property Insights of taurodeoxycholic acid, sodium salt
The XLogP value of 0.0587 suggests moderate lipophilicity, balancing water solubility and membrane permeability for taurodeoxycholic acid, sodium salt. The TPSA of 126.76 Ų falls within the moderate polarity range, balancing permeability and solubility for taurodeoxycholic acid, sodium salt. Following Lipinski's Rule of Five, taurodeoxycholic acid, sodium salt has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of taurodeoxycholic acid, sodium salt?
The CAS number of taurodeoxycholic acid, sodium salt is 1180-95-6.
What is the molecular formula of taurodeoxycholic acid, sodium salt?
The molecular formula of taurodeoxycholic acid, sodium salt is C26H44NNaO6S.
What is the molecular weight of taurodeoxycholic acid, sodium salt?
The molecular weight of taurodeoxycholic acid, sodium salt is 521.28 g/mol.
Where can I buy taurodeoxycholic acid, sodium salt?
You can request a quote for taurodeoxycholic acid, sodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for taurodeoxycholic acid, sodium salt?
Yes, KEHONG BIO provides custom synthesis services for taurodeoxycholic acid, sodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.