BAS 02224000
TL;DR: BAS 02224000 (CAS 333324-26-8) is a chemical compound with molecular formula C17H13ClF3N5OS and molecular weight 427.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: BAS 02224000, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methyl-5-(3-pyridyl)(1,2,4-triazol -3-ylthio))acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C17H13ClF3N5OS |
|---|---|
| Molecular Weight | 427.05 g/mol |
| LogP | 4.2801 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.04816 |
| Heavy Atoms | 28 |
| Complexity | 994.20306 |
Chemical Identifiers
| CAS Number | 333324-26-8 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)C3=CN=CC=C3 |
Product Overview
BAS 02224000 (CAS 333324-26-8), with molecular formula C17H13ClF3N5OS and molecular weight 427.05 g/mol. IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 02224000
Property Insights of BAS 02224000
The XLogP value of 4.2801 indicates that BAS 02224000 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 02224000. Following Lipinski's Rule of Five, BAS 02224000 has 1 hydrogen bond donor(s) and 5 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 BAS 02224000?
The CAS number of BAS 02224000 is 333324-26-8.
What is the molecular formula of BAS 02224000?
The molecular formula of BAS 02224000 is C17H13ClF3N5OS.
What is the molecular weight of BAS 02224000?
The molecular weight of BAS 02224000 is 427.05 g/mol.
Where can I buy BAS 02224000?
You can request a quote for BAS 02224000 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02224000?
Yes, KEHONG BIO provides custom synthesis services for BAS 02224000 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.