1-(Bromomethyl)benzotriazole
TL;DR: 1-(Bromomethyl)benzotriazole (CAS 142087-19-2) is a chemical compound with molecular formula C7H6BrN3 and molecular weight 210.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(bromomethyl)benzotriazole
Also Known As: 1-bromomethylbenzotriazole, 1-(bromomethyl)benzotriazole
| Molecular Formula | C7H6BrN3 |
|---|---|
| Molecular Weight | 210.97 g/mol |
| LogP | 1.7837 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.9745 |
| Heavy Atoms | 11 |
| Complexity | 368.47812 |
Chemical Identifiers
| CAS Number | 142087-19-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2CBr |
Product Overview
1-(Bromomethyl)benzotriazole (CAS 142087-19-2), with molecular formula C7H6BrN3 and molecular weight 210.97 g/mol. IUPAC: 1-(bromomethyl)benzotriazole.
Chemical Property Profile of 1-(Bromomethyl)benzotriazole
Property Insights of 1-(Bromomethyl)benzotriazole
The XLogP value of 1.7837 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Bromomethyl)benzotriazole. With a topological polar surface area (TPSA) of 30.71 Ų, 1-(Bromomethyl)benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Bromomethyl)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 1-(Bromomethyl)benzotriazole?
The CAS number of 1-(Bromomethyl)benzotriazole is 142087-19-2.
What is the molecular formula of 1-(Bromomethyl)benzotriazole?
The molecular formula of 1-(Bromomethyl)benzotriazole is C7H6BrN3.
What is the molecular weight of 1-(Bromomethyl)benzotriazole?
The molecular weight of 1-(Bromomethyl)benzotriazole is 210.97 g/mol.
Where can I buy 1-(Bromomethyl)benzotriazole?
You can request a quote for 1-(Bromomethyl)benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Bromomethyl)benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(Bromomethyl)benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.