![4-bromo-N-[(5-methyl-1H-benzotriazol-1-yl)methyl]aniline structure](/static/products/438/438538-82-0.png)
4-bromo-N-[(5-methyl-1H-benzotriazol-1-yl)methyl]aniline
TL;DR: 4-bromo-N-[(5-methyl-1H-benzotriazol-1-yl)methyl]aniline (CAS 438538-82-0) is a chemical compound with molecular formula C14H13BrN4 and molecular weight 316.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-[(5-methylbenzotriazol-1-yl)methyl]aniline
Also Known As: 4-bromo-N-[(5-methyl-1H-benzotriazol-1-yl)methyl]aniline, (4-bromophenyl)[(5-methylbenzotriazolyl)methyl]amine, 4-bromo-N-[(5-methylbenzotriazol-1-yl)methyl]aniline, 4-bromo-N-[(5-methyl-1,2,3-benzotriazol-1-yl)methyl]aniline
| Molecular Formula | C14H13BrN4 |
|---|---|
| Molecular Weight | 316.03 g/mol |
| LogP | 3.57182 |
| Topological Polar Surface Area | 42.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.03235 |
| Heavy Atoms | 19 |
| Complexity | 703.0427 |
Chemical Identifiers
| CAS Number | 438538-82-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(N=N2)CNC3=CC=C(C=C3)Br |
Product Overview
4-bromo-N-[(5-methyl-1H-benzotriazol-1-yl)methyl]aniline (CAS 438538-82-0), with molecular formula C14H13BrN4 and molecular weight 316.03 g/mol. IUPAC: 4-bromo-N-[(5-methylbenzotriazol-1-yl)methyl]aniline.
Chemical Property Profile of 4-bromo-N-[(5-methyl-1H-benzotriazol-1-yl)methyl]aniline
Property Insights of 4-bromo-N-[(5-methyl-1H-benzotriazol-1-yl)methyl]aniline
The XLogP value of 3.57182 indicates that 4-bromo-N-[(5-methyl-1H-benzotriazol-1-yl)methyl]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-N-[(5-methyl-1H-benzotriazol-1-yl)methyl]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-N-[(5-methyl-1H-benzotriazol-1-yl)methyl]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-N-[(5-methyl-1H-benzotriazol-1-yl)methyl]aniline?
The CAS number of 4-bromo-N-[(5-methyl-1H-benzotriazol-1-yl)methyl]aniline is 438538-82-0.
What is the molecular formula of 4-bromo-N-[(5-methyl-1H-benzotriazol-1-yl)methyl]aniline?
The molecular formula of 4-bromo-N-[(5-methyl-1H-benzotriazol-1-yl)methyl]aniline is C14H13BrN4.
What is the molecular weight of 4-bromo-N-[(5-methyl-1H-benzotriazol-1-yl)methyl]aniline?
The molecular weight of 4-bromo-N-[(5-methyl-1H-benzotriazol-1-yl)methyl]aniline is 316.03 g/mol.
Where can I buy 4-bromo-N-[(5-methyl-1H-benzotriazol-1-yl)methyl]aniline?
You can request a quote for 4-bromo-N-[(5-methyl-1H-benzotriazol-1-yl)methyl]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-N-[(5-methyl-1H-benzotriazol-1-yl)methyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-[(5-methyl-1H-benzotriazol-1-yl)methyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.