![3-bromo-N-[(5-methyl-1H-benzotriazol-1-yl)methyl]aniline structure](/static/products/438/438538-81-9.png)
3-bromo-N-[(5-methyl-1H-benzotriazol-1-yl)methyl]aniline
TL;DR: 3-bromo-N-[(5-methyl-1H-benzotriazol-1-yl)methyl]aniline (CAS 438538-81-9) 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.
3-bromo-N-[(5-methylbenzotriazol-1-yl)methyl]aniline
Also Known As: 3-bromo-N-[(5-methyl-1H-benzotriazol-1-yl)methyl]aniline, (3-bromophenyl)[(5-methylbenzotriazolyl)methyl]amine, 3-bromo-N-[(5-methylbenzotriazol-1-yl)methyl]aniline, 3-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 | 720.2927 |
Chemical Identifiers
| CAS Number | 438538-81-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(N=N2)CNC3=CC(=CC=C3)Br |
Product Overview
3-bromo-N-[(5-methyl-1H-benzotriazol-1-yl)methyl]aniline (CAS 438538-81-9), with molecular formula C14H13BrN4 and molecular weight 316.03 g/mol. IUPAC: 3-bromo-N-[(5-methylbenzotriazol-1-yl)methyl]aniline.
Chemical Property Profile of 3-bromo-N-[(5-methyl-1H-benzotriazol-1-yl)methyl]aniline
Property Insights of 3-bromo-N-[(5-methyl-1H-benzotriazol-1-yl)methyl]aniline
The XLogP value of 3.57182 indicates that 3-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, 3-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, 3-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 3-bromo-N-[(5-methyl-1H-benzotriazol-1-yl)methyl]aniline?
The CAS number of 3-bromo-N-[(5-methyl-1H-benzotriazol-1-yl)methyl]aniline is 438538-81-9.
What is the molecular formula of 3-bromo-N-[(5-methyl-1H-benzotriazol-1-yl)methyl]aniline?
The molecular formula of 3-bromo-N-[(5-methyl-1H-benzotriazol-1-yl)methyl]aniline is C14H13BrN4.
What is the molecular weight of 3-bromo-N-[(5-methyl-1H-benzotriazol-1-yl)methyl]aniline?
The molecular weight of 3-bromo-N-[(5-methyl-1H-benzotriazol-1-yl)methyl]aniline is 316.03 g/mol.
Where can I buy 3-bromo-N-[(5-methyl-1H-benzotriazol-1-yl)methyl]aniline?
You can request a quote for 3-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 3-bromo-N-[(5-methyl-1H-benzotriazol-1-yl)methyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-N-[(5-methyl-1H-benzotriazol-1-yl)methyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.