BAS 01890496
TL;DR: BAS 01890496 (CAS 332930-58-2) is a chemical compound with molecular formula C24H19ClF3N5OS and molecular weight 517.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: BAS 01890496, 2-((5-(((4-Chlorophenyl)amino)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide, 2-[[5-[(4-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide, 2-{5-[(4-Chloro-phenylamino)-methyl]-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl}-N-(3-trifluoromethyl-phenyl)-acetamide
| Molecular Formula | C24H19ClF3N5OS |
|---|---|
| Molecular Weight | 517.10 g/mol |
| LogP | 6.2824 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 517.0951 |
| Heavy Atoms | 35 |
| Complexity | 1296.7699 |
Chemical Identifiers
| CAS Number | 332930-58-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC(=C3)C(F)(F)F)CNC4=CC=C(C=C4)Cl |
Product Overview
BAS 01890496 (CAS 332930-58-2), with molecular formula C24H19ClF3N5OS and molecular weight 517.10 g/mol. IUPAC: 2-[[5-[(4-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of BAS 01890496
Property Insights of BAS 01890496
The XLogP value of 6.2824 indicates that BAS 01890496 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.84 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01890496. Following Lipinski's Rule of Five, BAS 01890496 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01890496?
The CAS number of BAS 01890496 is 332930-58-2.
What is the molecular formula of BAS 01890496?
The molecular formula of BAS 01890496 is C24H19ClF3N5OS.
What is the molecular weight of BAS 01890496?
The molecular weight of BAS 01890496 is 517.10 g/mol.
Where can I buy BAS 01890496?
You can request a quote for BAS 01890496 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01890496?
Yes, KEHONG BIO provides custom synthesis services for BAS 01890496 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.