5-bromo-1-methyl-1H-1,3-benzodiazole
TL;DR: 5-bromo-1-methyl-1H-1,3-benzodiazole (CAS 53484-15-4) 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.
5-bromo-1-methylbenzimidazole
Also Known As: 5-Bromo-1-methyl-1H-benzo[d]imidazole, 5-bromo-1-methylbenzimidazole, 5-BROMO-1-METHYL-1H-1,3-BENZODIAZOLE, 1-Methyl-5-bromobenzimidazole, 5-bromo-1-methyl-benzimidazole
| Molecular Formula | C8H7BrN2 |
|---|---|
| Molecular Weight | 209.98 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 209.97926 |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 53484-15-4 |
|---|---|
| SMILES | CN1C=NC2=C1C=CC(=C2)Br |
| InChIKey | KMJMDIYGNFGEEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-bromo-1-methyl-1H-1,3-benzodiazole (CAS 53484-15-4), with molecular formula C8H7BrN2 and molecular weight 209.98 g/mol. IUPAC: 5-bromo-1-methylbenzimidazole.
Chemical Property Profile of 5-bromo-1-methyl-1H-1,3-benzodiazole
Property Insights of 5-bromo-1-methyl-1H-1,3-benzodiazole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-bromo-1-methyl-1H-1,3-benzodiazole. With a topological polar surface area (TPSA) of 17.8 Ų, 5-bromo-1-methyl-1H-1,3-benzodiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-bromo-1-methyl-1H-1,3-benzodiazole has 0 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-1-methyl-1H-1,3-benzodiazole?
The CAS number of 5-bromo-1-methyl-1H-1,3-benzodiazole is 53484-15-4.
What is the molecular formula of 5-bromo-1-methyl-1H-1,3-benzodiazole?
The molecular formula of 5-bromo-1-methyl-1H-1,3-benzodiazole is C8H7BrN2.
What is the molecular weight of 5-bromo-1-methyl-1H-1,3-benzodiazole?
The molecular weight of 5-bromo-1-methyl-1H-1,3-benzodiazole is 209.98 g/mol.
Where can I buy 5-bromo-1-methyl-1H-1,3-benzodiazole?
You can request a quote for 5-bromo-1-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-1-methyl-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-1-methyl-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.