BAS 02617573
TL;DR: BAS 02617573 (CAS 335222-54-3) is a chemical compound with molecular formula C19H17F3N4OS and molecular weight 406.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: BAS 02617573, 2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide, 2-{[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide, 2-[4-methyl-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-[3-(trifluoromethyl) phenyl]acetamide
| Molecular Formula | C19H17F3N4OS |
|---|---|
| Molecular Weight | 406.11 g/mol |
| LogP | 4.54012 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.1075 |
| Heavy Atoms | 28 |
| Complexity | 983.589 |
Chemical Identifiers
| CAS Number | 335222-54-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
BAS 02617573 (CAS 335222-54-3), with molecular formula C19H17F3N4OS and molecular weight 406.11 g/mol. IUPAC: 2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of BAS 02617573
Property Insights of BAS 02617573
The XLogP value of 4.54012 indicates that BAS 02617573 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 02617573 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02617573 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 02617573?
The CAS number of BAS 02617573 is 335222-54-3.
What is the molecular formula of BAS 02617573?
The molecular formula of BAS 02617573 is C19H17F3N4OS.
What is the molecular weight of BAS 02617573?
The molecular weight of BAS 02617573 is 406.11 g/mol.
Where can I buy BAS 02617573?
You can request a quote for BAS 02617573 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02617573?
Yes, KEHONG BIO provides custom synthesis services for BAS 02617573 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.