BAS 01556330
TL;DR: BAS 01556330 (CAS 332907-19-4) is a chemical compound with molecular formula C25H22F3N5OS and molecular weight 497.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: BAS 01556330, 2-((4-Phenyl-5-((p-tolylamino)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide, 2-(5-{[(4-methylphenyl)amino]methyl}-4-phenyl(1,2,4-triazol-3-ylthio))-N-[3-(t rifluoromethyl)phenyl]acetamide, 2-[[5-[(4-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide, 2-[4-Phenyl-5-(p-tolylamino-methyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(3-trifluoromethyl-phenyl)-acetamide
| Molecular Formula | C25H22F3N5OS |
|---|---|
| Molecular Weight | 497.15 g/mol |
| LogP | 5.93742 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 497.14972 |
| Heavy Atoms | 35 |
| Complexity | 1290.7125 |
Chemical Identifiers
| CAS Number | 332907-19-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC(=C4)C(F)(F)F |
Product Overview
BAS 01556330 (CAS 332907-19-4), with molecular formula C25H22F3N5OS and molecular weight 497.15 g/mol. IUPAC: 2-[[5-[(4-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of BAS 01556330
Property Insights of BAS 01556330
The XLogP value of 5.93742 indicates that BAS 01556330 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 01556330. Following Lipinski's Rule of Five, BAS 01556330 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 01556330?
The CAS number of BAS 01556330 is 332907-19-4.
What is the molecular formula of BAS 01556330?
The molecular formula of BAS 01556330 is C25H22F3N5OS.
What is the molecular weight of BAS 01556330?
The molecular weight of BAS 01556330 is 497.15 g/mol.
Where can I buy BAS 01556330?
You can request a quote for BAS 01556330 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01556330?
Yes, KEHONG BIO provides custom synthesis services for BAS 01556330 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.