BAS 01940122
TL;DR: BAS 01940122 (CAS 332873-31-1) 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.
2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Also Known As: BAS 01940122, 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide, 2-{[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide, 2-[5-(4-chlorophenyl)-4-methyl(1,2,4-triazol-3-ylthio)]-N-[2-(trifluoromethyl) phenyl]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 | 989.24097 |
Chemical Identifiers
| CAS Number | 332873-31-1 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(F)(F)F)C3=CC=C(C=C3)Cl |
Product Overview
BAS 01940122 (CAS 332873-31-1), with molecular formula C18H14ClF3N4OS and molecular weight 426.05 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of BAS 01940122
Property Insights of BAS 01940122
The XLogP value of 4.8851 indicates that BAS 01940122 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 01940122 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01940122 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 01940122?
The CAS number of BAS 01940122 is 332873-31-1.
What is the molecular formula of BAS 01940122?
The molecular formula of BAS 01940122 is C18H14ClF3N4OS.
What is the molecular weight of BAS 01940122?
The molecular weight of BAS 01940122 is 426.05 g/mol.
Where can I buy BAS 01940122?
You can request a quote for BAS 01940122 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01940122?
Yes, KEHONG BIO provides custom synthesis services for BAS 01940122 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.