5-bromo-2-methyl-1H-1,3-benzodiazole
TL;DR: 5-bromo-2-methyl-1H-1,3-benzodiazole (CAS 1964-77-8) is a chemical compound with molecular formula C8H7BrN2 and molecular weight 209.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-2-methyl-1H-benzimidazole
Also Known As: 5-Bromo-2-methyl-1H-benzo[d]imidazole, 5-Bromo-2-methyl-1H-benzimidazole, 5-BROMO-2-METHYLBENZIMIDAZOLE, 5-Bromo-2-methylbenzoimidazole, 6-bromo-2-methyl-1H-benzimidazole
| Molecular Formula | C8H7BrN2 |
|---|---|
| Molecular Weight | 209.98 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 209.97926 |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 1964-77-8 |
|---|---|
| SMILES | CC1=NC2=C(N1)C=C(C=C2)Br |
| InChIKey | FHDFUQGJYYGLHJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-bromo-2-methyl-1H-1,3-benzodiazole (CAS 1964-77-8), with molecular formula C8H7BrN2 and molecular weight 209.98 g/mol. IUPAC: 6-bromo-2-methyl-1H-benzimidazole.
Chemical Property Profile of 5-bromo-2-methyl-1H-1,3-benzodiazole
Property Insights of 5-bromo-2-methyl-1H-1,3-benzodiazole
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-bromo-2-methyl-1H-1,3-benzodiazole. With a topological polar surface area (TPSA) of 28.7 Ų, 5-bromo-2-methyl-1H-1,3-benzodiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-bromo-2-methyl-1H-1,3-benzodiazole has 1 hydrogen bond donor(s) and 1 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-2-methyl-1H-1,3-benzodiazole?
The CAS number of 5-bromo-2-methyl-1H-1,3-benzodiazole is 1964-77-8.
What is the molecular formula of 5-bromo-2-methyl-1H-1,3-benzodiazole?
The molecular formula of 5-bromo-2-methyl-1H-1,3-benzodiazole is C8H7BrN2.
What is the molecular weight of 5-bromo-2-methyl-1H-1,3-benzodiazole?
The molecular weight of 5-bromo-2-methyl-1H-1,3-benzodiazole is 209.98 g/mol.
Where can I buy 5-bromo-2-methyl-1H-1,3-benzodiazole?
You can request a quote for 5-bromo-2-methyl-1H-1,3-benzodiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-bromo-2-methyl-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-2-methyl-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.