BAS 02539498
TL;DR: BAS 02539498 (CAS 494194-86-4) is a chemical compound with molecular formula C21H24N4OS and molecular weight 380.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 02539498, 2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, 2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, 2-[5-(4-tert-Butyl-phenyl)-4-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
| Molecular Formula | C21H24N4OS |
|---|---|
| Molecular Weight | 380.17 g/mol |
| LogP | 4.11762 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.16708 |
| Heavy Atoms | 27 |
| Complexity | 937.8081 |
Chemical Identifiers
| CAS Number | 494194-86-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)C3=CC=C(C=C3)C(C)(C)C |
Product Overview
BAS 02539498 (CAS 494194-86-4), with molecular formula C21H24N4OS and molecular weight 380.17 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 02539498
Property Insights of BAS 02539498
The XLogP value of 4.11762 indicates that BAS 02539498 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02539498. Following Lipinski's Rule of Five, BAS 02539498 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 02539498?
The CAS number of BAS 02539498 is 494194-86-4.
What is the molecular formula of BAS 02539498?
The molecular formula of BAS 02539498 is C21H24N4OS.
What is the molecular weight of BAS 02539498?
The molecular weight of BAS 02539498 is 380.17 g/mol.
Where can I buy BAS 02539498?
You can request a quote for BAS 02539498 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02539498?
Yes, KEHONG BIO provides custom synthesis services for BAS 02539498 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.