![N-{4-[(2-chloro-6-fluorobenzyl)amino]benzyl}-1H-1,2,4-triazol-5-amine structure](/static/products/708/708294-99-9.png)
N-{4-[(2-chloro-6-fluorobenzyl)amino]benzyl}-1H-1,2,4-triazol-5-amine
TL;DR: N-{4-[(2-chloro-6-fluorobenzyl)amino]benzyl}-1H-1,2,4-triazol-5-amine (CAS 708294-99-9) is a chemical compound with molecular formula C16H15ClFN5 and molecular weight 331.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-[(2-chloro-6-fluorophenyl)methylamino]phenyl]methyl]-1H-1,2,4-triazol-5-amine
Also Known As: AP-970/42165655, N-{4-[(2-chloro-6-fluorobenzyl)amino]benzyl}-1H-1,2,4-triazol-5-amine, N-(4-((2-chloro-6-fluorobenzyl)amino)benzyl)-1H-1,2,4-triazol-5-amine, N-(2-chloro-6-fluorobenzyl)-N-{4-[(1H-1,2,4-triazol-5-ylamino)methyl]phenyl}amine, N-[[4-[(2-chloro-6-fluorophenyl)methylamino]phenyl]methyl]-1H-1,2,4-triazol-5-amine
| Molecular Formula | C16H15ClFN5 |
|---|---|
| Molecular Weight | 331.10 g/mol |
| LogP | 3.8214 |
| Topological Polar Surface Area | 65.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.1 |
| Heavy Atoms | 23 |
| Complexity | 738.4016 |
Chemical Identifiers
| CAS Number | 708294-99-9 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)CNC2=CC=C(C=C2)CNC3=NC=NN3)F |
Product Overview
N-{4-[(2-chloro-6-fluorobenzyl)amino]benzyl}-1H-1,2,4-triazol-5-amine (CAS 708294-99-9), with molecular formula C16H15ClFN5 and molecular weight 331.10 g/mol. IUPAC: N-[[4-[(2-chloro-6-fluorophenyl)methylamino]phenyl]methyl]-1H-1,2,4-triazol-5-amine.
Chemical Property Profile of N-{4-[(2-chloro-6-fluorobenzyl)amino]benzyl}-1H-1,2,4-triazol-5-amine
Property Insights of N-{4-[(2-chloro-6-fluorobenzyl)amino]benzyl}-1H-1,2,4-triazol-5-amine
The XLogP value of 3.8214 indicates that N-{4-[(2-chloro-6-fluorobenzyl)amino]benzyl}-1H-1,2,4-triazol-5-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.63 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{4-[(2-chloro-6-fluorobenzyl)amino]benzyl}-1H-1,2,4-triazol-5-amine. Following Lipinski's Rule of Five, N-{4-[(2-chloro-6-fluorobenzyl)amino]benzyl}-1H-1,2,4-triazol-5-amine has 3 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-{4-[(2-chloro-6-fluorobenzyl)amino]benzyl}-1H-1,2,4-triazol-5-amine?
The CAS number of N-{4-[(2-chloro-6-fluorobenzyl)amino]benzyl}-1H-1,2,4-triazol-5-amine is 708294-99-9.
What is the molecular formula of N-{4-[(2-chloro-6-fluorobenzyl)amino]benzyl}-1H-1,2,4-triazol-5-amine?
The molecular formula of N-{4-[(2-chloro-6-fluorobenzyl)amino]benzyl}-1H-1,2,4-triazol-5-amine is C16H15ClFN5.
What is the molecular weight of N-{4-[(2-chloro-6-fluorobenzyl)amino]benzyl}-1H-1,2,4-triazol-5-amine?
The molecular weight of N-{4-[(2-chloro-6-fluorobenzyl)amino]benzyl}-1H-1,2,4-triazol-5-amine is 331.10 g/mol.
Where can I buy N-{4-[(2-chloro-6-fluorobenzyl)amino]benzyl}-1H-1,2,4-triazol-5-amine?
You can request a quote for N-{4-[(2-chloro-6-fluorobenzyl)amino]benzyl}-1H-1,2,4-triazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{4-[(2-chloro-6-fluorobenzyl)amino]benzyl}-1H-1,2,4-triazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for N-{4-[(2-chloro-6-fluorobenzyl)amino]benzyl}-1H-1,2,4-triazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.