![N-(4-bromobenzyl)-N-{3-[(2-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}amine structure](/static/products/7244/724446-77-9.webp)
N-(4-bromobenzyl)-N-{3-[(2-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}amine
TL;DR: N-(4-bromobenzyl)-N-{3-[(2-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}amine (CAS 724446-77-9) is a chemical compound with molecular formula C16H14BrFN4S and molecular weight 392.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-bromophenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
Also Known As: AP-970/42165928, N-(4-bromobenzyl)-N-{3-[(2-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}amine, N-(4-bromobenzyl)-3-[(2-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine, N-[(4-bromophenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
| Molecular Formula | C16H14BrFN4S |
|---|---|
| Molecular Weight | 392.01 g/mol |
| LogP | 4.2157 |
| Topological Polar Surface Area | 42.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.01065 |
| Heavy Atoms | 23 |
| Complexity | 775.7612 |
Chemical Identifiers
| CAS Number | 724446-77-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=NN=CN2NCC3=CC=C(C=C3)Br)F |
Product Overview
N-(4-bromobenzyl)-N-{3-[(2-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}amine (CAS 724446-77-9), with molecular formula C16H14BrFN4S and molecular weight 392.01 g/mol. IUPAC: N-[(4-bromophenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine.
Chemical Property Profile of N-(4-bromobenzyl)-N-{3-[(2-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}amine
Property Insights of N-(4-bromobenzyl)-N-{3-[(2-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}amine
The XLogP value of 4.2157 indicates that N-(4-bromobenzyl)-N-{3-[(2-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.74 Ų, N-(4-bromobenzyl)-N-{3-[(2-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-bromobenzyl)-N-{3-[(2-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}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-(4-bromobenzyl)-N-{3-[(2-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}amine?
The CAS number of N-(4-bromobenzyl)-N-{3-[(2-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}amine is 724446-77-9.
What is the molecular formula of N-(4-bromobenzyl)-N-{3-[(2-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}amine?
The molecular formula of N-(4-bromobenzyl)-N-{3-[(2-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}amine is C16H14BrFN4S.
What is the molecular weight of N-(4-bromobenzyl)-N-{3-[(2-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}amine?
The molecular weight of N-(4-bromobenzyl)-N-{3-[(2-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}amine is 392.01 g/mol.
Where can I buy N-(4-bromobenzyl)-N-{3-[(2-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}amine?
You can request a quote for N-(4-bromobenzyl)-N-{3-[(2-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}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-bromobenzyl)-N-{3-[(2-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}amine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-bromobenzyl)-N-{3-[(2-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.