1-(5-((furan-2-ylmethyl)amino)-3-(p-tolyl)-1H-1,2,4-triazol-1-yl)-2-phenoxyethanone
TL;DR: 1-(5-((furan-2-ylmethyl)amino)-3-(p-tolyl)-1H-1,2,4-triazol-1-yl)-2-phenoxyethanone (CAS 831242-50-3) is a chemical compound with molecular formula C22H20N4O3 and molecular weight 388.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(furan-2-ylmethylamino)-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-phenoxyethanone
Also Known As: 1-(5-((furan-2-ylmethyl)amino)-3-(p-tolyl)-1H-1,2,4-triazol-1-yl)-2-phenoxyethanone, 1-[5-(furan-2-ylmethylamino)-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-phenoxyethanone, N-(2-furylmethyl)-3-(4-methylphenyl)-1-(phenoxyacetyl)-1H-1,2,4-triazol-5-amine, 1-{5-[(furan-2-ylmethyl)amino]-3-(4-methylphenyl)-1H-1,2,4-triazol-1-yl}-2-phenoxyethanone
| Molecular Formula | C22H20N4O3 |
|---|---|
| Molecular Weight | 388.15 g/mol |
| LogP | 4.17782 |
| Topological Polar Surface Area | 82.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 388.15353 |
| Heavy Atoms | 29 |
| Complexity | 1071.22 |
Chemical Identifiers
| CAS Number | 831242-50-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CO3)C(=O)COC4=CC=CC=C4 |
Product Overview
1-(5-((furan-2-ylmethyl)amino)-3-(p-tolyl)-1H-1,2,4-triazol-1-yl)-2-phenoxyethanone (CAS 831242-50-3), with molecular formula C22H20N4O3 and molecular weight 388.15 g/mol. IUPAC: 1-[5-(furan-2-ylmethylamino)-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-phenoxyethanone.
Chemical Property Profile of 1-(5-((furan-2-ylmethyl)amino)-3-(p-tolyl)-1H-1,2,4-triazol-1-yl)-2-phenoxyethanone
Property Insights of 1-(5-((furan-2-ylmethyl)amino)-3-(p-tolyl)-1H-1,2,4-triazol-1-yl)-2-phenoxyethanone
The XLogP value of 4.17782 indicates that 1-(5-((furan-2-ylmethyl)amino)-3-(p-tolyl)-1H-1,2,4-triazol-1-yl)-2-phenoxyethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-((furan-2-ylmethyl)amino)-3-(p-tolyl)-1H-1,2,4-triazol-1-yl)-2-phenoxyethanone. Following Lipinski's Rule of Five, 1-(5-((furan-2-ylmethyl)amino)-3-(p-tolyl)-1H-1,2,4-triazol-1-yl)-2-phenoxyethanone 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 1-(5-((furan-2-ylmethyl)amino)-3-(p-tolyl)-1H-1,2,4-triazol-1-yl)-2-phenoxyethanone?
The CAS number of 1-(5-((furan-2-ylmethyl)amino)-3-(p-tolyl)-1H-1,2,4-triazol-1-yl)-2-phenoxyethanone is 831242-50-3.
What is the molecular formula of 1-(5-((furan-2-ylmethyl)amino)-3-(p-tolyl)-1H-1,2,4-triazol-1-yl)-2-phenoxyethanone?
The molecular formula of 1-(5-((furan-2-ylmethyl)amino)-3-(p-tolyl)-1H-1,2,4-triazol-1-yl)-2-phenoxyethanone is C22H20N4O3.
What is the molecular weight of 1-(5-((furan-2-ylmethyl)amino)-3-(p-tolyl)-1H-1,2,4-triazol-1-yl)-2-phenoxyethanone?
The molecular weight of 1-(5-((furan-2-ylmethyl)amino)-3-(p-tolyl)-1H-1,2,4-triazol-1-yl)-2-phenoxyethanone is 388.15 g/mol.
Where can I buy 1-(5-((furan-2-ylmethyl)amino)-3-(p-tolyl)-1H-1,2,4-triazol-1-yl)-2-phenoxyethanone?
You can request a quote for 1-(5-((furan-2-ylmethyl)amino)-3-(p-tolyl)-1H-1,2,4-triazol-1-yl)-2-phenoxyethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-((furan-2-ylmethyl)amino)-3-(p-tolyl)-1H-1,2,4-triazol-1-yl)-2-phenoxyethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-((furan-2-ylmethyl)amino)-3-(p-tolyl)-1H-1,2,4-triazol-1-yl)-2-phenoxyethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.