![N-[2-(benzyloxy)-3-methoxybenzyl]-4H-1,2,4-triazol-4-amine structure](/static/products/401/401603-99-4.png)
N-[2-(benzyloxy)-3-methoxybenzyl]-4H-1,2,4-triazol-4-amine
TL;DR: N-[2-(benzyloxy)-3-methoxybenzyl]-4H-1,2,4-triazol-4-amine (CAS 401603-99-4) is a chemical compound with molecular formula C17H18N4O2 and molecular weight 310.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine
Also Known As: N-[2-(benzyloxy)-3-methoxybenzyl]-4H-1,2,4-triazol-4-amine, N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine, {[3-methoxy-2-(phenylmethoxy)phenyl]methyl}-1,2,4-triazol-4-ylamine, N-{[2-(BENZYLOXY)-3-METHOXYPHENYL]METHYL}-1,2,4-TRIAZOL-4-AMINE, N-{[2-(benzyloxy)-3-methoxyphenyl]methyl}-4H-1,2,4-triazol-4-amine
| Molecular Formula | C17H18N4O2 |
|---|---|
| Molecular Weight | 310.14 g/mol |
| LogP | 2.6094 |
| Topological Polar Surface Area | 61.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 310.14297 |
| Heavy Atoms | 23 |
| Complexity | 729.614 |
Chemical Identifiers
| CAS Number | 401603-99-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1OCC2=CC=CC=C2)CNN3C=NN=C3 |
Product Overview
N-[2-(benzyloxy)-3-methoxybenzyl]-4H-1,2,4-triazol-4-amine (CAS 401603-99-4), with molecular formula C17H18N4O2 and molecular weight 310.14 g/mol. IUPAC: N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine.
Chemical Property Profile of N-[2-(benzyloxy)-3-methoxybenzyl]-4H-1,2,4-triazol-4-amine
Property Insights of N-[2-(benzyloxy)-3-methoxybenzyl]-4H-1,2,4-triazol-4-amine
The XLogP value of 2.6094 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-(benzyloxy)-3-methoxybenzyl]-4H-1,2,4-triazol-4-amine. The TPSA of 61.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(benzyloxy)-3-methoxybenzyl]-4H-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, N-[2-(benzyloxy)-3-methoxybenzyl]-4H-1,2,4-triazol-4-amine 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 N-[2-(benzyloxy)-3-methoxybenzyl]-4H-1,2,4-triazol-4-amine?
The CAS number of N-[2-(benzyloxy)-3-methoxybenzyl]-4H-1,2,4-triazol-4-amine is 401603-99-4.
What is the molecular formula of N-[2-(benzyloxy)-3-methoxybenzyl]-4H-1,2,4-triazol-4-amine?
The molecular formula of N-[2-(benzyloxy)-3-methoxybenzyl]-4H-1,2,4-triazol-4-amine is C17H18N4O2.
What is the molecular weight of N-[2-(benzyloxy)-3-methoxybenzyl]-4H-1,2,4-triazol-4-amine?
The molecular weight of N-[2-(benzyloxy)-3-methoxybenzyl]-4H-1,2,4-triazol-4-amine is 310.14 g/mol.
Where can I buy N-[2-(benzyloxy)-3-methoxybenzyl]-4H-1,2,4-triazol-4-amine?
You can request a quote for N-[2-(benzyloxy)-3-methoxybenzyl]-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-[2-(benzyloxy)-3-methoxybenzyl]-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(benzyloxy)-3-methoxybenzyl]-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.