BAS 02053430
TL;DR: BAS 02053430 (CAS 332947-87-2) is a chemical compound with molecular formula C24H18ClF3N4OS and molecular weight 502.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Also Known As: BAS 02053430, 2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide, 2-((5-(4-Chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide, 2-((5-(4-CHLOROPHENYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(2-(TRIFLUOROMETHYL)PHENYL)ACETAMIDE, 2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C24H18ClF3N4OS |
|---|---|
| Molecular Weight | 502.08 g/mol |
| LogP | 6.64572 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 502.0842 |
| Heavy Atoms | 34 |
| Complexity | 1305.3002 |
Chemical Identifiers
| CAS Number | 332947-87-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3C(F)(F)F)C4=CC=C(C=C4)Cl |
Product Overview
BAS 02053430 (CAS 332947-87-2), with molecular formula C24H18ClF3N4OS and molecular weight 502.08 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of BAS 02053430
Property Insights of BAS 02053430
The XLogP value of 6.64572 indicates that BAS 02053430 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 02053430 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02053430 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 02053430?
The CAS number of BAS 02053430 is 332947-87-2.
What is the molecular formula of BAS 02053430?
The molecular formula of BAS 02053430 is C24H18ClF3N4OS.
What is the molecular weight of BAS 02053430?
The molecular weight of BAS 02053430 is 502.08 g/mol.
Where can I buy BAS 02053430?
You can request a quote for BAS 02053430 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02053430?
Yes, KEHONG BIO provides custom synthesis services for BAS 02053430 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.