![4-bromo-3-methyl-N-[4-(1H-1,2,4-triazol-1-yl)benzyl]aniline structure](/static/products/866/866157-60-0.png)
4-bromo-3-methyl-N-[4-(1H-1,2,4-triazol-1-yl)benzyl]aniline
TL;DR: 4-bromo-3-methyl-N-[4-(1H-1,2,4-triazol-1-yl)benzyl]aniline (CAS 866157-60-0) is a chemical compound with molecular formula C16H15BrN4 and molecular weight 342.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-3-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]aniline
Also Known As: 4-bromo-3-methyl-N-[4-(1H-1,2,4-triazol-1-yl)benzyl]aniline, 4-bromo-3-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]aniline, 4-bromo-3-methyl-N-{[4-(1H-1,2,4-triazol-1-yl)phenyl]methyl}aniline
| Molecular Formula | C16H15BrN4 |
|---|---|
| Molecular Weight | 342.05 g/mol |
| LogP | 3.95032 |
| Topological Polar Surface Area | 42.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.048 |
| Heavy Atoms | 21 |
| Complexity | 720.5427 |
Chemical Identifiers
| CAS Number | 866157-60-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NCC2=CC=C(C=C2)N3C=NC=N3)Br |
Product Overview
4-bromo-3-methyl-N-[4-(1H-1,2,4-triazol-1-yl)benzyl]aniline (CAS 866157-60-0), with molecular formula C16H15BrN4 and molecular weight 342.05 g/mol. IUPAC: 4-bromo-3-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]aniline.
Chemical Property Profile of 4-bromo-3-methyl-N-[4-(1H-1,2,4-triazol-1-yl)benzyl]aniline
Property Insights of 4-bromo-3-methyl-N-[4-(1H-1,2,4-triazol-1-yl)benzyl]aniline
The XLogP value of 3.95032 indicates that 4-bromo-3-methyl-N-[4-(1H-1,2,4-triazol-1-yl)benzyl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.74 Ų, 4-bromo-3-methyl-N-[4-(1H-1,2,4-triazol-1-yl)benzyl]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-3-methyl-N-[4-(1H-1,2,4-triazol-1-yl)benzyl]aniline 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 4-bromo-3-methyl-N-[4-(1H-1,2,4-triazol-1-yl)benzyl]aniline?
The CAS number of 4-bromo-3-methyl-N-[4-(1H-1,2,4-triazol-1-yl)benzyl]aniline is 866157-60-0.
What is the molecular formula of 4-bromo-3-methyl-N-[4-(1H-1,2,4-triazol-1-yl)benzyl]aniline?
The molecular formula of 4-bromo-3-methyl-N-[4-(1H-1,2,4-triazol-1-yl)benzyl]aniline is C16H15BrN4.
What is the molecular weight of 4-bromo-3-methyl-N-[4-(1H-1,2,4-triazol-1-yl)benzyl]aniline?
The molecular weight of 4-bromo-3-methyl-N-[4-(1H-1,2,4-triazol-1-yl)benzyl]aniline is 342.05 g/mol.
Where can I buy 4-bromo-3-methyl-N-[4-(1H-1,2,4-triazol-1-yl)benzyl]aniline?
You can request a quote for 4-bromo-3-methyl-N-[4-(1H-1,2,4-triazol-1-yl)benzyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-3-methyl-N-[4-(1H-1,2,4-triazol-1-yl)benzyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-3-methyl-N-[4-(1H-1,2,4-triazol-1-yl)benzyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.