2-Methyl-5-(4-bromophenyl)tetrazole
TL;DR: 2-Methyl-5-(4-bromophenyl)tetrazole (CAS 69746-36-7) is a chemical compound with molecular formula C8H7BrN4 and molecular weight 237.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-bromophenyl)-2-methyltetrazole
Also Known As: 2-Methyl-5-(4-bromophenyl)tetrazole, 5-(4-bromophenyl)-2-methyltetrazole, 5-(4-bromophenyl)-2-methyl-2H-tetrazole, 5-(4-Bromo-phenyl)-2-methyl-2H-tetrazole, 5-(4-bromophenyl)-2-methyl-2H-1,2,3,4-tetrazole
| Molecular Formula | C8H7BrN4 |
|---|---|
| Molecular Weight | 237.99 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.98541 |
| Heavy Atoms | 13 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 69746-36-7 |
|---|---|
| SMILES | CN1N=C(N=N1)C2=CC=C(C=C2)Br |
| InChIKey | IOFCGKXMOYLYFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-5-(4-bromophenyl)tetrazole (CAS 69746-36-7), with molecular formula C8H7BrN4 and molecular weight 237.99 g/mol. IUPAC: 5-(4-bromophenyl)-2-methyltetrazole.
Chemical Property Profile of 2-Methyl-5-(4-bromophenyl)tetrazole
Property Insights of 2-Methyl-5-(4-bromophenyl)tetrazole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-5-(4-bromophenyl)tetrazole. With a topological polar surface area (TPSA) of 43.6 Ų, 2-Methyl-5-(4-bromophenyl)tetrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-5-(4-bromophenyl)tetrazole has 0 hydrogen bond donor(s) and 3 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 2-Methyl-5-(4-bromophenyl)tetrazole?
The CAS number of 2-Methyl-5-(4-bromophenyl)tetrazole is 69746-36-7.
What is the molecular formula of 2-Methyl-5-(4-bromophenyl)tetrazole?
The molecular formula of 2-Methyl-5-(4-bromophenyl)tetrazole is C8H7BrN4.
What is the molecular weight of 2-Methyl-5-(4-bromophenyl)tetrazole?
The molecular weight of 2-Methyl-5-(4-bromophenyl)tetrazole is 237.99 g/mol.
Where can I buy 2-Methyl-5-(4-bromophenyl)tetrazole?
You can request a quote for 2-Methyl-5-(4-bromophenyl)tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-5-(4-bromophenyl)tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-(4-bromophenyl)tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.