Taurochenodeoxycholic acid sodium
TL;DR: Taurochenodeoxycholic acid sodium (CAS 6009-98-9) is a chemical compound with molecular formula C26H45NNaO6S and molecular weight 522.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: Taurochenodeoxycholic acid sodium, Taurochenodeoxycholic acid sodium salt, 009T989, 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-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]pentanoyl]amino]ethanesulfonic acid; sodium
| Molecular Formula | C26H45NNaO6S |
|---|---|
| Molecular Weight | 522.29 g/mol |
| LogP | 3.0165 |
| Topological Polar Surface Area | 123.93 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 522.2865 |
| Heavy Atoms | 35 |
| Complexity | 869.9033 |
Chemical Identifiers
| CAS Number | 6009-98-9 |
|---|---|
| SMILES | C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na] |
Product Overview
Taurochenodeoxycholic acid sodium (CAS 6009-98-9), with molecular formula C26H45NNaO6S and molecular weight 522.29 g/mol.
Chemical Property Profile of Taurochenodeoxycholic acid sodium
Property Insights of Taurochenodeoxycholic acid sodium
The XLogP value of 3.0165 indicates that Taurochenodeoxycholic acid sodium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Taurochenodeoxycholic acid sodium. Following Lipinski's Rule of Five, Taurochenodeoxycholic acid sodium has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Taurochenodeoxycholic acid sodium?
The CAS number of Taurochenodeoxycholic acid sodium is 6009-98-9.
What is the molecular formula of Taurochenodeoxycholic acid sodium?
The molecular formula of Taurochenodeoxycholic acid sodium is C26H45NNaO6S.
What is the molecular weight of Taurochenodeoxycholic acid sodium?
The molecular weight of Taurochenodeoxycholic acid sodium is 522.29 g/mol.
Where can I buy Taurochenodeoxycholic acid sodium?
You can request a quote for Taurochenodeoxycholic acid sodium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Taurochenodeoxycholic acid sodium?
Yes, KEHONG BIO provides custom synthesis services for Taurochenodeoxycholic acid sodium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.