1-(2-chlorobenzoyl)-3-(2-furyl)-1H-1,2,4-triazol-5-ylamine
TL;DR: 1-(2-chlorobenzoyl)-3-(2-furyl)-1H-1,2,4-triazol-5-ylamine (CAS 694456-13-8) is a chemical compound with molecular formula C13H9ClN4O2 and molecular weight 288.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(2-chlorophenyl)methanone
Also Known As: 1-(2-chlorobenzoyl)-3-(2-furyl)-1H-1,2,4-triazol-5-ylamine, BAS 06344223, AE-848/42278504, [5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(2-chlorophenyl)methanone, (5-Amino-3-furan-2-yl-[1,2,4]triazol-1-yl)-(2-chloro-phenyl)-methanone
| Molecular Formula | C13H9ClN4O2 |
|---|---|
| Molecular Weight | 288.04 g/mol |
| LogP | 2.4622 |
| Topological Polar Surface Area | 86.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.0414 |
| Heavy Atoms | 20 |
| Complexity | 764.5365 |
Chemical Identifiers
| CAS Number | 694456-13-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)N2C(=NC(=N2)C3=CC=CO3)N)Cl |
Product Overview
1-(2-chlorobenzoyl)-3-(2-furyl)-1H-1,2,4-triazol-5-ylamine (CAS 694456-13-8), with molecular formula C13H9ClN4O2 and molecular weight 288.04 g/mol. IUPAC: [5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(2-chlorophenyl)methanone.
Chemical Property Profile of 1-(2-chlorobenzoyl)-3-(2-furyl)-1H-1,2,4-triazol-5-ylamine
Property Insights of 1-(2-chlorobenzoyl)-3-(2-furyl)-1H-1,2,4-triazol-5-ylamine
The XLogP value of 2.4622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-chlorobenzoyl)-3-(2-furyl)-1H-1,2,4-triazol-5-ylamine. The TPSA of 86.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-chlorobenzoyl)-3-(2-furyl)-1H-1,2,4-triazol-5-ylamine. Following Lipinski's Rule of Five, 1-(2-chlorobenzoyl)-3-(2-furyl)-1H-1,2,4-triazol-5-ylamine 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 1-(2-chlorobenzoyl)-3-(2-furyl)-1H-1,2,4-triazol-5-ylamine?
The CAS number of 1-(2-chlorobenzoyl)-3-(2-furyl)-1H-1,2,4-triazol-5-ylamine is 694456-13-8.
What is the molecular formula of 1-(2-chlorobenzoyl)-3-(2-furyl)-1H-1,2,4-triazol-5-ylamine?
The molecular formula of 1-(2-chlorobenzoyl)-3-(2-furyl)-1H-1,2,4-triazol-5-ylamine is C13H9ClN4O2.
What is the molecular weight of 1-(2-chlorobenzoyl)-3-(2-furyl)-1H-1,2,4-triazol-5-ylamine?
The molecular weight of 1-(2-chlorobenzoyl)-3-(2-furyl)-1H-1,2,4-triazol-5-ylamine is 288.04 g/mol.
Where can I buy 1-(2-chlorobenzoyl)-3-(2-furyl)-1H-1,2,4-triazol-5-ylamine?
You can request a quote for 1-(2-chlorobenzoyl)-3-(2-furyl)-1H-1,2,4-triazol-5-ylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-chlorobenzoyl)-3-(2-furyl)-1H-1,2,4-triazol-5-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-chlorobenzoyl)-3-(2-furyl)-1H-1,2,4-triazol-5-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.