N-(3-bromobenzyl)-4H-1,2,4-triazol-4-amine
TL;DR: N-(3-bromobenzyl)-4H-1,2,4-triazol-4-amine (CAS 353761-72-5) is a chemical compound with molecular formula C9H9BrN4 and molecular weight 252.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-bromophenyl)methyl]-1,2,4-triazol-4-amine
Also Known As: N-(3-bromobenzyl)-4H-1,2,4-triazol-4-amine, N-[(3-bromophenyl)methyl]-1,2,4-triazol-4-amine, AN-465/15152008, [(3-bromophenyl)methyl]-1,2,4-triazol-4-ylamine, N-[(3-bromophenyl)methyl]-4H-1,2,4-triazol-4-amine
| Molecular Formula | C9H9BrN4 |
|---|---|
| Molecular Weight | 252.00 g/mol |
| LogP | 1.7843 |
| Topological Polar Surface Area | 42.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.00105 |
| Heavy Atoms | 14 |
| Complexity | 398.954 |
Chemical Identifiers
| CAS Number | 353761-72-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)CNN2C=NN=C2 |
Product Overview
N-(3-bromobenzyl)-4H-1,2,4-triazol-4-amine (CAS 353761-72-5), with molecular formula C9H9BrN4 and molecular weight 252.00 g/mol. IUPAC: N-[(3-bromophenyl)methyl]-1,2,4-triazol-4-amine.
Chemical Property Profile of N-(3-bromobenzyl)-4H-1,2,4-triazol-4-amine
Property Insights of N-(3-bromobenzyl)-4H-1,2,4-triazol-4-amine
The XLogP value of 1.7843 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-bromobenzyl)-4H-1,2,4-triazol-4-amine. With a topological polar surface area (TPSA) of 42.74 Ų, N-(3-bromobenzyl)-4H-1,2,4-triazol-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-bromobenzyl)-4H-1,2,4-triazol-4-amine has 1 hydrogen bond donor(s) and 3 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-(3-bromobenzyl)-4H-1,2,4-triazol-4-amine?
The CAS number of N-(3-bromobenzyl)-4H-1,2,4-triazol-4-amine is 353761-72-5.
What is the molecular formula of N-(3-bromobenzyl)-4H-1,2,4-triazol-4-amine?
The molecular formula of N-(3-bromobenzyl)-4H-1,2,4-triazol-4-amine is C9H9BrN4.
What is the molecular weight of N-(3-bromobenzyl)-4H-1,2,4-triazol-4-amine?
The molecular weight of N-(3-bromobenzyl)-4H-1,2,4-triazol-4-amine is 252.00 g/mol.
Where can I buy N-(3-bromobenzyl)-4H-1,2,4-triazol-4-amine?
You can request a quote for N-(3-bromobenzyl)-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-(3-bromobenzyl)-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-bromobenzyl)-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.