N-(5-bromo-2-ethoxybenzyl)-4H-1,2,4-triazol-4-amine
TL;DR: N-(5-bromo-2-ethoxybenzyl)-4H-1,2,4-triazol-4-amine (CAS 892604-72-7) is a chemical compound with molecular formula C11H13BrN4O and molecular weight 296.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-bromo-2-ethoxyphenyl)methyl]-1,2,4-triazol-4-amine
Also Known As: N-(5-bromo-2-ethoxybenzyl)-4H-1,2,4-triazol-4-amine, N-[(5-bromo-2-ethoxyphenyl)methyl]-1,2,4-triazol-4-amine, AN-465/42519604, N-(5-bromo-2-ethoxybenzyl)-N-(4H-1,2,4-triazol-4-yl)amine
| Molecular Formula | C11H13BrN4O |
|---|---|
| Molecular Weight | 296.03 g/mol |
| LogP | 2.183 |
| Topological Polar Surface Area | 51.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.02728 |
| Heavy Atoms | 17 |
| Complexity | 472.3286 |
Chemical Identifiers
| CAS Number | 892604-72-7 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)Br)CNN2C=NN=C2 |
Product Overview
N-(5-bromo-2-ethoxybenzyl)-4H-1,2,4-triazol-4-amine (CAS 892604-72-7), with molecular formula C11H13BrN4O and molecular weight 296.03 g/mol. IUPAC: N-[(5-bromo-2-ethoxyphenyl)methyl]-1,2,4-triazol-4-amine.
Chemical Property Profile of N-(5-bromo-2-ethoxybenzyl)-4H-1,2,4-triazol-4-amine
Property Insights of N-(5-bromo-2-ethoxybenzyl)-4H-1,2,4-triazol-4-amine
The XLogP value of 2.183 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-bromo-2-ethoxybenzyl)-4H-1,2,4-triazol-4-amine. With a topological polar surface area (TPSA) of 51.97 Ų, N-(5-bromo-2-ethoxybenzyl)-4H-1,2,4-triazol-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5-bromo-2-ethoxybenzyl)-4H-1,2,4-triazol-4-amine has 1 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-bromo-2-ethoxybenzyl)-4H-1,2,4-triazol-4-amine?
The CAS number of N-(5-bromo-2-ethoxybenzyl)-4H-1,2,4-triazol-4-amine is 892604-72-7.
What is the molecular formula of N-(5-bromo-2-ethoxybenzyl)-4H-1,2,4-triazol-4-amine?
The molecular formula of N-(5-bromo-2-ethoxybenzyl)-4H-1,2,4-triazol-4-amine is C11H13BrN4O.
What is the molecular weight of N-(5-bromo-2-ethoxybenzyl)-4H-1,2,4-triazol-4-amine?
The molecular weight of N-(5-bromo-2-ethoxybenzyl)-4H-1,2,4-triazol-4-amine is 296.03 g/mol.
Where can I buy N-(5-bromo-2-ethoxybenzyl)-4H-1,2,4-triazol-4-amine?
You can request a quote for N-(5-bromo-2-ethoxybenzyl)-4H-1,2,4-triazol-4-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-bromo-2-ethoxybenzyl)-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(5-bromo-2-ethoxybenzyl)-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.