BAS 02223434
TL;DR: BAS 02223434 (CAS 333322-48-8) is a chemical compound with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-methylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 02223434, 2-{[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-((5-(phenoxymethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, 2-(5-Phenoxymethyl-4-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide, 2-[4-(4-methylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-ylthio]acetamide
| Molecular Formula | C18H18N4O2S |
|---|---|
| Molecular Weight | 354.12 g/mol |
| LogP | 2.73212 |
| Topological Polar Surface Area | 83.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 354.11505 |
| Heavy Atoms | 25 |
| Complexity | 847.27246 |
Chemical Identifiers
| CAS Number | 333322-48-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)COC3=CC=CC=C3 |
Product Overview
BAS 02223434 (CAS 333322-48-8), with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol. IUPAC: 2-[[4-(4-methylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 02223434
Property Insights of BAS 02223434
The XLogP value of 2.73212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02223434. The TPSA of 83.03 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02223434. Following Lipinski's Rule of Five, BAS 02223434 has 1 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 02223434?
The CAS number of BAS 02223434 is 333322-48-8.
What is the molecular formula of BAS 02223434?
The molecular formula of BAS 02223434 is C18H18N4O2S.
What is the molecular weight of BAS 02223434?
The molecular weight of BAS 02223434 is 354.12 g/mol.
Where can I buy BAS 02223434?
You can request a quote for BAS 02223434 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02223434?
Yes, KEHONG BIO provides custom synthesis services for BAS 02223434 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.