N-(2-ethoxy-3-methoxybenzyl)-1H-1,2,4-triazol-3-amine
TL;DR: N-(2-ethoxy-3-methoxybenzyl)-1H-1,2,4-triazol-3-amine (CAS 878713-96-3) is a chemical compound with molecular formula C12H16N4O2 and molecular weight 248.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-ethoxy-3-methoxyphenyl)methyl]-1H-1,2,4-triazol-5-amine
Also Known As: ASN 12415916, N-(2-ethoxy-3-methoxybenzyl)-1H-1,2,4-triazol-3-amine, AN-465/42519510, N-[(2-ethoxy-3-methoxyphenyl)methyl]-1H-1,2,4-triazol-5-amine, A4132/0176223
| Molecular Formula | C12H16N4O2 |
|---|---|
| Molecular Weight | 248.13 g/mol |
| LogP | 1.8241 |
| Topological Polar Surface Area | 72.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 248.12732 |
| Heavy Atoms | 18 |
| Complexity | 484.82758 |
Chemical Identifiers
| CAS Number | 878713-96-3 |
|---|---|
| SMILES | CCOC1=C(C=CC=C1OC)CNC2=NC=NN2 |
Product Overview
N-(2-ethoxy-3-methoxybenzyl)-1H-1,2,4-triazol-3-amine (CAS 878713-96-3), with molecular formula C12H16N4O2 and molecular weight 248.13 g/mol. IUPAC: N-[(2-ethoxy-3-methoxyphenyl)methyl]-1H-1,2,4-triazol-5-amine.
Chemical Property Profile of N-(2-ethoxy-3-methoxybenzyl)-1H-1,2,4-triazol-3-amine
Property Insights of N-(2-ethoxy-3-methoxybenzyl)-1H-1,2,4-triazol-3-amine
The XLogP value of 1.8241 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-ethoxy-3-methoxybenzyl)-1H-1,2,4-triazol-3-amine. The TPSA of 72.06 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-ethoxy-3-methoxybenzyl)-1H-1,2,4-triazol-3-amine. Following Lipinski's Rule of Five, N-(2-ethoxy-3-methoxybenzyl)-1H-1,2,4-triazol-3-amine has 2 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 N-(2-ethoxy-3-methoxybenzyl)-1H-1,2,4-triazol-3-amine?
The CAS number of N-(2-ethoxy-3-methoxybenzyl)-1H-1,2,4-triazol-3-amine is 878713-96-3.
What is the molecular formula of N-(2-ethoxy-3-methoxybenzyl)-1H-1,2,4-triazol-3-amine?
The molecular formula of N-(2-ethoxy-3-methoxybenzyl)-1H-1,2,4-triazol-3-amine is C12H16N4O2.
What is the molecular weight of N-(2-ethoxy-3-methoxybenzyl)-1H-1,2,4-triazol-3-amine?
The molecular weight of N-(2-ethoxy-3-methoxybenzyl)-1H-1,2,4-triazol-3-amine is 248.13 g/mol.
Where can I buy N-(2-ethoxy-3-methoxybenzyl)-1H-1,2,4-triazol-3-amine?
You can request a quote for N-(2-ethoxy-3-methoxybenzyl)-1H-1,2,4-triazol-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-ethoxy-3-methoxybenzyl)-1H-1,2,4-triazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-ethoxy-3-methoxybenzyl)-1H-1,2,4-triazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.