BAS 02563179
TL;DR: BAS 02563179 (CAS 333411-40-8) is a chemical compound with molecular formula C21H22N4O3S and molecular weight 410.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetylphenyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 02563179, N-(4-Acetylphenyl)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-acetylphenyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(4-acetylphenyl)-2-[4-ethyl-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]acet amide, N-(4-Acetyl-phenyl)-2-[4-ethyl-5-(4-methoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
| Molecular Formula | C21H22N4O3S |
|---|---|
| Molecular Weight | 410.14 g/mol |
| LogP | 3.907 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 410.14127 |
| Heavy Atoms | 29 |
| Complexity | 997.7706 |
Chemical Identifiers
| CAS Number | 333411-40-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)C)C3=CC=C(C=C3)OC |
Product Overview
BAS 02563179 (CAS 333411-40-8), with molecular formula C21H22N4O3S and molecular weight 410.14 g/mol. IUPAC: N-(4-acetylphenyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 02563179
Property Insights of BAS 02563179
The XLogP value of 3.907 indicates that BAS 02563179 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02563179. Following Lipinski's Rule of Five, BAS 02563179 has 1 hydrogen bond donor(s) and 6 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 02563179?
The CAS number of BAS 02563179 is 333411-40-8.
What is the molecular formula of BAS 02563179?
The molecular formula of BAS 02563179 is C21H22N4O3S.
What is the molecular weight of BAS 02563179?
The molecular weight of BAS 02563179 is 410.14 g/mol.
Where can I buy BAS 02563179?
You can request a quote for BAS 02563179 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02563179?
Yes, KEHONG BIO provides custom synthesis services for BAS 02563179 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.