Taurochenodeoxycholic Acid
TL;DR: Taurochenodeoxycholic Acid (CAS 51934-39-5) is a chemical compound with molecular formula C26H45NO6S and molecular weight 499.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
Also Known As: TAUROCHENODEOXYCHOLIC ACID, Taurochenodeoxycholate, Chenyltaurine, Taurochenodesoxycholic acid, Chenodeoxycholyltaurine
| Molecular Formula | C26H45NO6S |
|---|---|
| Molecular Weight | 499.30 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 499.29675 |
| Heavy Atoms | 34 |
| Complexity | 858.0 |
Chemical Identifiers
| CAS Number | 51934-39-5 |
|---|---|
| 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 |
| InChIKey | BHTRKEVKTKCXOH-BJLOMENOSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Taurochenodeoxycholic Acid (CAS 51934-39-5), with molecular formula C26H45NO6S and molecular weight 499.30 g/mol. IUPAC: 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.
Chemical Property Profile of Taurochenodeoxycholic Acid
Property Insights of Taurochenodeoxycholic Acid
The XLogP value of 3.6 indicates that Taurochenodeoxycholic Acid 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 Taurochenodeoxycholic Acid. Following Lipinski's Rule of Five, Taurochenodeoxycholic Acid 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
Frequently Asked Questions
What is the CAS number of Taurochenodeoxycholic Acid?
The CAS number of Taurochenodeoxycholic Acid is 51934-39-5.
What is the molecular formula of Taurochenodeoxycholic Acid?
The molecular formula of Taurochenodeoxycholic Acid is C26H45NO6S.
What is the molecular weight of Taurochenodeoxycholic Acid?
The molecular weight of Taurochenodeoxycholic Acid is 499.30 g/mol.
Where can I buy Taurochenodeoxycholic Acid?
You can request a quote for Taurochenodeoxycholic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Taurochenodeoxycholic Acid?
Yes, KEHONG BIO provides custom synthesis services for Taurochenodeoxycholic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.