5-(Bromomethyl)-1-methyl-1H-benzotriazole
TL;DR: 5-(Bromomethyl)-1-methyl-1H-benzotriazole (CAS 499770-76-2) is a chemical compound with molecular formula C8H8BrN3 and molecular weight 224.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(bromomethyl)-1-methylbenzotriazole
Also Known As: 5-(bromomethyl)-1-methyl-1H-benzo[d][1,2,3]triazole, 5-(BROMOMETHYL)-1-METHYL-1H-1,2,3-BENZOTRIAZOLE, 5-(bromomethyl)-1-methylbenzotriazole, (6-ethylpyridin-2-yl)methanol, 5-(bromomethyl)-1-methyl-benzotriazole
| Molecular Formula | C8H8BrN3 |
|---|---|
| Molecular Weight | 224.99 g/mol |
| LogP | 1.8632 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.99016 |
| Heavy Atoms | 12 |
| Complexity | 407.5952 |
Chemical Identifiers
| CAS Number | 499770-76-2 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)CBr)N=N1 |
Product Overview
5-(Bromomethyl)-1-methyl-1H-benzotriazole (CAS 499770-76-2), with molecular formula C8H8BrN3 and molecular weight 224.99 g/mol. IUPAC: 5-(bromomethyl)-1-methylbenzotriazole.
Chemical Property Profile of 5-(Bromomethyl)-1-methyl-1H-benzotriazole
Property Insights of 5-(Bromomethyl)-1-methyl-1H-benzotriazole
The XLogP value of 1.8632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Bromomethyl)-1-methyl-1H-benzotriazole. With a topological polar surface area (TPSA) of 30.71 Ų, 5-(Bromomethyl)-1-methyl-1H-benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Bromomethyl)-1-methyl-1H-benzotriazole has 0 hydrogen bond donor(s) and 2 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 5-(Bromomethyl)-1-methyl-1H-benzotriazole?
The CAS number of 5-(Bromomethyl)-1-methyl-1H-benzotriazole is 499770-76-2.
What is the molecular formula of 5-(Bromomethyl)-1-methyl-1H-benzotriazole?
The molecular formula of 5-(Bromomethyl)-1-methyl-1H-benzotriazole is C8H8BrN3.
What is the molecular weight of 5-(Bromomethyl)-1-methyl-1H-benzotriazole?
The molecular weight of 5-(Bromomethyl)-1-methyl-1H-benzotriazole is 224.99 g/mol.
Where can I buy 5-(Bromomethyl)-1-methyl-1H-benzotriazole?
You can request a quote for 5-(Bromomethyl)-1-methyl-1H-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Bromomethyl)-1-methyl-1H-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(Bromomethyl)-1-methyl-1H-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.