BAS 02170836
TL;DR: BAS 02170836 (CAS 333318-85-7) is a chemical compound with molecular formula C18H14ClF3N4OS and molecular weight 426.05 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-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: BAS 02170836, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methyl-5-phenyl(1,2,4-triazol-3-yl thio))acetamide
| Molecular Formula | C18H14ClF3N4OS |
|---|---|
| Molecular Weight | 426.05 g/mol |
| LogP | 4.8851 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.0529 |
| Heavy Atoms | 28 |
| Complexity | 992.24097 |
Chemical Identifiers
| CAS Number | 333318-85-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)C3=CC=CC=C3 |
Product Overview
BAS 02170836 (CAS 333318-85-7), with molecular formula C18H14ClF3N4OS and molecular weight 426.05 g/mol. IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 02170836
Property Insights of BAS 02170836
The XLogP value of 4.8851 indicates that BAS 02170836 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, BAS 02170836 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02170836 has 1 hydrogen bond donor(s) and 4 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 02170836?
The CAS number of BAS 02170836 is 333318-85-7.
What is the molecular formula of BAS 02170836?
The molecular formula of BAS 02170836 is C18H14ClF3N4OS.
What is the molecular weight of BAS 02170836?
The molecular weight of BAS 02170836 is 426.05 g/mol.
Where can I buy BAS 02170836?
You can request a quote for BAS 02170836 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02170836?
Yes, KEHONG BIO provides custom synthesis services for BAS 02170836 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.