N-(5-chloro-2-ethoxybenzyl)-N-(1H-1,2,4-triazol-3-yl)amine
TL;DR: N-(5-chloro-2-ethoxybenzyl)-N-(1H-1,2,4-triazol-3-yl)amine (CAS 878713-95-2) is a chemical compound with molecular formula C11H13ClN4O and molecular weight 252.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-chloro-2-ethoxyphenyl)methyl]-1H-1,2,4-triazol-5-amine
Also Known As: ASN 12415914, AN-465/42519507, N-(5-chloro-2-ethoxybenzyl)-N-(1H-1,2,4-triazol-3-yl)amine, N-[(5-chloro-2-ethoxyphenyl)methyl]-1H-1,2,4-triazol-5-amine, N-(5-chloro-2-ethoxybenzyl)-1H-1,2,4-triazol-3-amine
| Molecular Formula | C11H13ClN4O |
|---|---|
| Molecular Weight | 252.08 g/mol |
| LogP | 2.4689 |
| Topological Polar Surface Area | 62.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.07779 |
| Heavy Atoms | 17 |
| Complexity | 472.3286 |
Chemical Identifiers
| CAS Number | 878713-95-2 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)Cl)CNC2=NC=NN2 |
Product Overview
N-(5-chloro-2-ethoxybenzyl)-N-(1H-1,2,4-triazol-3-yl)amine (CAS 878713-95-2), with molecular formula C11H13ClN4O and molecular weight 252.08 g/mol. IUPAC: N-[(5-chloro-2-ethoxyphenyl)methyl]-1H-1,2,4-triazol-5-amine.
Chemical Property Profile of N-(5-chloro-2-ethoxybenzyl)-N-(1H-1,2,4-triazol-3-yl)amine
Property Insights of N-(5-chloro-2-ethoxybenzyl)-N-(1H-1,2,4-triazol-3-yl)amine
The XLogP value of 2.4689 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-chloro-2-ethoxybenzyl)-N-(1H-1,2,4-triazol-3-yl)amine. The TPSA of 62.83 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-chloro-2-ethoxybenzyl)-N-(1H-1,2,4-triazol-3-yl)amine. Following Lipinski's Rule of Five, N-(5-chloro-2-ethoxybenzyl)-N-(1H-1,2,4-triazol-3-yl)amine has 2 hydrogen bond donor(s) and 4 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 N-(5-chloro-2-ethoxybenzyl)-N-(1H-1,2,4-triazol-3-yl)amine?
The CAS number of N-(5-chloro-2-ethoxybenzyl)-N-(1H-1,2,4-triazol-3-yl)amine is 878713-95-2.
What is the molecular formula of N-(5-chloro-2-ethoxybenzyl)-N-(1H-1,2,4-triazol-3-yl)amine?
The molecular formula of N-(5-chloro-2-ethoxybenzyl)-N-(1H-1,2,4-triazol-3-yl)amine is C11H13ClN4O.
What is the molecular weight of N-(5-chloro-2-ethoxybenzyl)-N-(1H-1,2,4-triazol-3-yl)amine?
The molecular weight of N-(5-chloro-2-ethoxybenzyl)-N-(1H-1,2,4-triazol-3-yl)amine is 252.08 g/mol.
Where can I buy N-(5-chloro-2-ethoxybenzyl)-N-(1H-1,2,4-triazol-3-yl)amine?
You can request a quote for N-(5-chloro-2-ethoxybenzyl)-N-(1H-1,2,4-triazol-3-yl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-chloro-2-ethoxybenzyl)-N-(1H-1,2,4-triazol-3-yl)amine?
Yes, KEHONG BIO provides custom synthesis services for N-(5-chloro-2-ethoxybenzyl)-N-(1H-1,2,4-triazol-3-yl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.