BAS 02224021
TL;DR: BAS 02224021 (CAS 333324-31-5) is a chemical compound with molecular formula C20H18ClF3N4OS and molecular weight 454.08 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-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 02224021, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((4-ethyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-ethyl-5-(3-methylphenyl)(1,2,4-tri azol-3-ylthio)]acetamide
| Molecular Formula | C20H18ClF3N4OS |
|---|---|
| Molecular Weight | 454.08 g/mol |
| LogP | 5.67642 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.0842 |
| Heavy Atoms | 30 |
| Complexity | 1068.4454 |
Chemical Identifiers
| CAS Number | 333324-31-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)C3=CC=CC(=C3)C |
Product Overview
BAS 02224021 (CAS 333324-31-5), with molecular formula C20H18ClF3N4OS and molecular weight 454.08 g/mol. IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 02224021
Property Insights of BAS 02224021
The XLogP value of 5.67642 indicates that BAS 02224021 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 02224021 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02224021 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02224021?
The CAS number of BAS 02224021 is 333324-31-5.
What is the molecular formula of BAS 02224021?
The molecular formula of BAS 02224021 is C20H18ClF3N4OS.
What is the molecular weight of BAS 02224021?
The molecular weight of BAS 02224021 is 454.08 g/mol.
Where can I buy BAS 02224021?
You can request a quote for BAS 02224021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02224021?
Yes, KEHONG BIO provides custom synthesis services for BAS 02224021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.