Chenyltaurine
TL;DR: Chenyltaurine (CAS 516-35-8) 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-[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]pentanoylamino]ethanesulfonic acid
Also Known As: Chenyltaurine, Taurochenodeoxycholate, Chenodeoxycholyltaurine, Taurine chenodeoxycholate, TAUROCHENODEOXYCHOLIC ACID
| 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 | 516-35-8 |
|---|---|
| SMILES | CC(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-XZWNYQJKSA-N |
Product Overview
Chenyltaurine (CAS 516-35-8), with molecular formula C26H45NO6S and molecular weight 499.30 g/mol. IUPAC: 2-[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]pentanoylamino]ethanesulfonic acid.
Chemical Property Profile of Chenyltaurine
Property Insights of Chenyltaurine
The XLogP value of 3.6 indicates that Chenyltaurine 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 Chenyltaurine. Following Lipinski's Rule of Five, Chenyltaurine 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 Chenyltaurine?
The CAS number of Chenyltaurine is 516-35-8.
What is the molecular formula of Chenyltaurine?
The molecular formula of Chenyltaurine is C26H45NO6S.
What is the molecular weight of Chenyltaurine?
The molecular weight of Chenyltaurine is 499.30 g/mol.
Where can I buy Chenyltaurine?
You can request a quote for Chenyltaurine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chenyltaurine?
Yes, KEHONG BIO provides custom synthesis services for Chenyltaurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.