1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-chloro-3-methylphenoxy)ethanone
TL;DR: 1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-chloro-3-methylphenoxy)ethanone (CAS 694504-95-5) is a chemical compound with molecular formula C11H11ClN4O2 and molecular weight 266.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-amino-1,2,4-triazol-4-yl)-2-(4-chloro-3-methylphenoxy)ethanone
Also Known As: BAS 06764073, 1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-chloro-3-methylphenoxy)ethanone, 4-[(4-chloro-3-methylphenoxy)acetyl]-4H-1,2,4-triazol-3-amine, 1-(3-Amino-[1,2,4]triazol-4-yl)-2-(4-chloro-3-methyl-phenoxy)-ethanone, 1-(3-amino-1,2,4-triazol-4-yl)-2-(4-chloro-3-methylphenoxy)ethanone
| Molecular Formula | C11H11ClN4O2 |
|---|---|
| Molecular Weight | 266.06 g/mol |
| LogP | 1.54132 |
| Topological Polar Surface Area | 83.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.05707 |
| Heavy Atoms | 18 |
| Complexity | 582.17224 |
Chemical Identifiers
| CAS Number | 694504-95-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC(=O)N2C=NN=C2N)Cl |
Product Overview
1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-chloro-3-methylphenoxy)ethanone (CAS 694504-95-5), with molecular formula C11H11ClN4O2 and molecular weight 266.06 g/mol. IUPAC: 1-(3-amino-1,2,4-triazol-4-yl)-2-(4-chloro-3-methylphenoxy)ethanone.
Chemical Property Profile of 1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-chloro-3-methylphenoxy)ethanone
Property Insights of 1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-chloro-3-methylphenoxy)ethanone
The XLogP value of 1.54132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-chloro-3-methylphenoxy)ethanone. The TPSA of 83.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-chloro-3-methylphenoxy)ethanone. Following Lipinski's Rule of Five, 1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-chloro-3-methylphenoxy)ethanone 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-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-chloro-3-methylphenoxy)ethanone?
The CAS number of 1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-chloro-3-methylphenoxy)ethanone is 694504-95-5.
What is the molecular formula of 1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-chloro-3-methylphenoxy)ethanone?
The molecular formula of 1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-chloro-3-methylphenoxy)ethanone is C11H11ClN4O2.
What is the molecular weight of 1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-chloro-3-methylphenoxy)ethanone?
The molecular weight of 1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-chloro-3-methylphenoxy)ethanone is 266.06 g/mol.
Where can I buy 1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-chloro-3-methylphenoxy)ethanone?
You can request a quote for 1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-chloro-3-methylphenoxy)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-chloro-3-methylphenoxy)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-chloro-3-methylphenoxy)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.