![N-[2-(benzyloxy)benzyl]-4H-1,2,4-triazol-4-amine structure](/static/products/401/401603-98-3.png)
N-[2-(benzyloxy)benzyl]-4H-1,2,4-triazol-4-amine
TL;DR: N-[2-(benzyloxy)benzyl]-4H-1,2,4-triazol-4-amine (CAS 401603-98-3) is a chemical compound with molecular formula C16H16N4O and molecular weight 280.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine
Also Known As: N-[2-(benzyloxy)benzyl]-4H-1,2,4-triazol-4-amine, AN-465/14015305, N-[(2-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine, {[2-(phenylmethoxy)phenyl]methyl}-1,2,4-triazol-4-ylamine, N-{[2-(benzyloxy)phenyl]methyl}-4H-1,2,4-triazol-4-amine
| Molecular Formula | C16H16N4O |
|---|---|
| Molecular Weight | 280.13 g/mol |
| LogP | 2.6008 |
| Topological Polar Surface Area | 51.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 280.13242 |
| Heavy Atoms | 21 |
| Complexity | 667.76355 |
Chemical Identifiers
| CAS Number | 401603-98-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=CC=C2CNN3C=NN=C3 |
Product Overview
N-[2-(benzyloxy)benzyl]-4H-1,2,4-triazol-4-amine (CAS 401603-98-3), with molecular formula C16H16N4O and molecular weight 280.13 g/mol. IUPAC: N-[(2-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine.
Chemical Property Profile of N-[2-(benzyloxy)benzyl]-4H-1,2,4-triazol-4-amine
Property Insights of N-[2-(benzyloxy)benzyl]-4H-1,2,4-triazol-4-amine
The XLogP value of 2.6008 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-(benzyloxy)benzyl]-4H-1,2,4-triazol-4-amine. With a topological polar surface area (TPSA) of 51.97 Ų, N-[2-(benzyloxy)benzyl]-4H-1,2,4-triazol-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[2-(benzyloxy)benzyl]-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-[2-(benzyloxy)benzyl]-4H-1,2,4-triazol-4-amine?
The CAS number of N-[2-(benzyloxy)benzyl]-4H-1,2,4-triazol-4-amine is 401603-98-3.
What is the molecular formula of N-[2-(benzyloxy)benzyl]-4H-1,2,4-triazol-4-amine?
The molecular formula of N-[2-(benzyloxy)benzyl]-4H-1,2,4-triazol-4-amine is C16H16N4O.
What is the molecular weight of N-[2-(benzyloxy)benzyl]-4H-1,2,4-triazol-4-amine?
The molecular weight of N-[2-(benzyloxy)benzyl]-4H-1,2,4-triazol-4-amine is 280.13 g/mol.
Where can I buy N-[2-(benzyloxy)benzyl]-4H-1,2,4-triazol-4-amine?
You can request a quote for N-[2-(benzyloxy)benzyl]-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)benzyl]-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(benzyloxy)benzyl]-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.