![N-({4-allyl-5-[(3-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-iodophenyl)amine structure](/static/products/4384/438454-75-2.webp)
N-({4-allyl-5-[(3-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-iodophenyl)amine
TL;DR: N-({4-allyl-5-[(3-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-iodophenyl)amine (CAS 438454-75-2) is a chemical compound with molecular formula C19H18BrIN4S and molecular weight 539.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-iodoaniline
Also Known As: N-({4-allyl-5-[(3-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-iodophenyl)amine, N-[[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-iodoaniline, N-({5-[(3-bromobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)-4-iodoaniline
| Molecular Formula | C19H18BrIN4S |
|---|---|
| Molecular Weight | 539.95 g/mol |
| LogP | 5.7356 |
| Topological Polar Surface Area | 42.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 539.94806 |
| Heavy Atoms | 26 |
| Complexity | 879.50055 |
Chemical Identifiers
| CAS Number | 438454-75-2 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC2=CC(=CC=C2)Br)CNC3=CC=C(C=C3)I |
Product Overview
N-({4-allyl-5-[(3-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-iodophenyl)amine (CAS 438454-75-2), with molecular formula C19H18BrIN4S and molecular weight 539.95 g/mol. IUPAC: N-[[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-iodoaniline.
Chemical Property Profile of N-({4-allyl-5-[(3-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-iodophenyl)amine
Property Insights of N-({4-allyl-5-[(3-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-iodophenyl)amine
The XLogP value of 5.7356 indicates that N-({4-allyl-5-[(3-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-iodophenyl)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-allyl-5-[(3-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-iodophenyl)amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-({4-allyl-5-[(3-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-iodophenyl)amine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-({4-allyl-5-[(3-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-iodophenyl)amine?
The CAS number of N-({4-allyl-5-[(3-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-iodophenyl)amine is 438454-75-2.
What is the molecular formula of N-({4-allyl-5-[(3-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-iodophenyl)amine?
The molecular formula of N-({4-allyl-5-[(3-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-iodophenyl)amine is C19H18BrIN4S.
What is the molecular weight of N-({4-allyl-5-[(3-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-iodophenyl)amine?
The molecular weight of N-({4-allyl-5-[(3-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-iodophenyl)amine is 539.95 g/mol.
Where can I buy N-({4-allyl-5-[(3-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-iodophenyl)amine?
You can request a quote for N-({4-allyl-5-[(3-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-iodophenyl)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-allyl-5-[(3-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-iodophenyl)amine?
Yes, KEHONG BIO provides custom synthesis services for N-({4-allyl-5-[(3-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-iodophenyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.