BAS 02054542
TL;DR: BAS 02054542 (CAS 338425-98-2) is a chemical compound with molecular formula C22H18N4OS and molecular weight 386.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
Also Known As: BAS 02054542, 2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone, 1-phenyl-2-((5-(pyridin-4-yl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone, 1-Phenyl-2-(5-pyridin-4-yl-4-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone, 2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
| Molecular Formula | C22H18N4OS |
|---|---|
| Molecular Weight | 386.12 g/mol |
| LogP | 4.61272 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.12012 |
| Heavy Atoms | 28 |
| Complexity | 1076.747 |
Chemical Identifiers
| CAS Number | 338425-98-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)C4=CC=NC=C4 |
Product Overview
BAS 02054542 (CAS 338425-98-2), with molecular formula C22H18N4OS and molecular weight 386.12 g/mol. IUPAC: 2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone.
Chemical Property Profile of BAS 02054542
Property Insights of BAS 02054542
The XLogP value of 4.61272 indicates that BAS 02054542 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02054542. Following Lipinski's Rule of Five, BAS 02054542 has 0 hydrogen bond donor(s) and 5 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 02054542?
The CAS number of BAS 02054542 is 338425-98-2.
What is the molecular formula of BAS 02054542?
The molecular formula of BAS 02054542 is C22H18N4OS.
What is the molecular weight of BAS 02054542?
The molecular weight of BAS 02054542 is 386.12 g/mol.
Where can I buy BAS 02054542?
You can request a quote for BAS 02054542 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02054542?
Yes, KEHONG BIO provides custom synthesis services for BAS 02054542 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.