![N-[[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methylaniline structure](/static/products/4452/445288-18-6.webp)
N-[[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methylaniline
TL;DR: N-[[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methylaniline (CAS 445288-18-6) is a chemical compound with molecular formula C20H21BrN4S and molecular weight 428.07 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-methylaniline
Also Known As: N-[[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methylaniline, N-({4-allyl-5-[(3-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-methylphenyl)amine, N-({5-[(3-bromobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)-4-methylaniline
| Molecular Formula | C20H21BrN4S |
|---|---|
| Molecular Weight | 428.07 g/mol |
| LogP | 5.43942 |
| Topological Polar Surface Area | 42.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 428.06702 |
| Heavy Atoms | 26 |
| Complexity | 873.77264 |
Chemical Identifiers
| CAS Number | 445288-18-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NCC2=NN=C(N2CC=C)SCC3=CC(=CC=C3)Br |
Product Overview
N-[[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methylaniline (CAS 445288-18-6), with molecular formula C20H21BrN4S and molecular weight 428.07 g/mol. IUPAC: N-[[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methylaniline.
Chemical Property Profile of N-[[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methylaniline
Property Insights of N-[[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methylaniline
The XLogP value of 5.43942 indicates that N-[[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methylaniline 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-[[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methylaniline 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-[[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methylaniline?
The CAS number of N-[[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methylaniline is 445288-18-6.
What is the molecular formula of N-[[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methylaniline?
The molecular formula of N-[[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methylaniline is C20H21BrN4S.
What is the molecular weight of N-[[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methylaniline?
The molecular weight of N-[[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methylaniline is 428.07 g/mol.
Where can I buy N-[[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methylaniline?
You can request a quote for N-[[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-[[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.