BAS 01516508
TL;DR: BAS 01516508 (CAS 207277-66-5) is a chemical compound with molecular formula C22H16F3N5OS and molecular weight 455.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: BAS 01516508, NNC45-0781, 2-((4-Phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide, 2-(4-phenyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-[3-(trifluoromethyl)pheny l]acetamide, 2-(4-Phenyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(3-trifluoromethyl-phenyl)-acetamide
| Molecular Formula | C22H16F3N5OS |
|---|---|
| Molecular Weight | 455.10 g/mol |
| LogP | 5.0789 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.10275 |
| Heavy Atoms | 32 |
| Complexity | 1213.2307 |
Chemical Identifiers
| CAS Number | 207277-66-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC(=C3)C(F)(F)F)C4=CC=NC=C4 |
Product Overview
BAS 01516508 (CAS 207277-66-5), with molecular formula C22H16F3N5OS and molecular weight 455.10 g/mol. IUPAC: 2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of BAS 01516508
Property Insights of BAS 01516508
The XLogP value of 5.0789 indicates that BAS 01516508 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01516508. Following Lipinski's Rule of Five, BAS 01516508 has 1 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 BAS 01516508?
The CAS number of BAS 01516508 is 207277-66-5.
What is the molecular formula of BAS 01516508?
The molecular formula of BAS 01516508 is C22H16F3N5OS.
What is the molecular weight of BAS 01516508?
The molecular weight of BAS 01516508 is 455.10 g/mol.
Where can I buy BAS 01516508?
You can request a quote for BAS 01516508 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01516508?
Yes, KEHONG BIO provides custom synthesis services for BAS 01516508 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.