5-Bromo-1H-benzotriazole
TL;DR: 5-Bromo-1H-benzotriazole (CAS 2702268-85-5) is a chemical compound with molecular formula C6H4BrN3 and molecular weight 196.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2H-benzotriazole
Also Known As: 5-Bromo-1H-benzotriazole, 5-bromo-2H-benzotriazole, 5-bromo-1H-1,2,3-benzotriazole, 5-bromobenzotriazole, 1H-Benzotriazole, 5-bromo-
| Molecular Formula | C6H4BrN3 |
|---|---|
| Molecular Weight | 196.96 g/mol |
| LogP | 1.7204 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.95886 |
| Heavy Atoms | 10 |
| Complexity | 354.52042 |
Chemical Identifiers
| CAS Number | 2702268-85-5 |
|---|---|
| SMILES | C1=CC2=NNN=C2C=C1Br |
Product Overview
5-Bromo-1H-benzotriazole (CAS 2702268-85-5), with molecular formula C6H4BrN3 and molecular weight 196.96 g/mol. IUPAC: 5-bromo-2H-benzotriazole.
Chemical Property Profile of 5-Bromo-1H-benzotriazole
Property Insights of 5-Bromo-1H-benzotriazole
The XLogP value of 1.7204 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-1H-benzotriazole. With a topological polar surface area (TPSA) of 41.57 Ų, 5-Bromo-1H-benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-1H-benzotriazole has 1 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-Bromo-1H-benzotriazole?
The CAS number of 5-Bromo-1H-benzotriazole is 2702268-85-5.
What is the molecular formula of 5-Bromo-1H-benzotriazole?
The molecular formula of 5-Bromo-1H-benzotriazole is C6H4BrN3.
What is the molecular weight of 5-Bromo-1H-benzotriazole?
The molecular weight of 5-Bromo-1H-benzotriazole is 196.96 g/mol.
Where can I buy 5-Bromo-1H-benzotriazole?
You can request a quote for 5-Bromo-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-Bromo-1H-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-1H-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.