5-Bromotetrazole
TL;DR: 5-Bromotetrazole (CAS 42371-37-9) is a chemical compound with molecular formula CHBrN4 and molecular weight 147.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2H-tetrazole
Also Known As: 5-bromo-2H-tetrazole, 5-Bromotetrazole, 5-Bromo-1H-tetrazole, 1H-Tetrazole, 5-bromo-, CHBrN4
| Molecular Formula | CHBrN4 |
|---|---|
| Molecular Weight | 147.94 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 147.93846 |
| Heavy Atoms | 6 |
| Complexity | 46.0 |
Chemical Identifiers
| CAS Number | 42371-37-9 |
|---|---|
| SMILES | C1(=NNN=N1)Br |
| InChIKey | HFULRRXNTBESRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Bromotetrazole (CAS 42371-37-9), with molecular formula CHBrN4 and molecular weight 147.94 g/mol. IUPAC: 5-bromo-2H-tetrazole.
Chemical Property Profile of 5-Bromotetrazole
Property Insights of 5-Bromotetrazole
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromotetrazole. With a topological polar surface area (TPSA) of 54.5 Ų, 5-Bromotetrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromotetrazole has 1 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 5-Bromotetrazole?
The CAS number of 5-Bromotetrazole is 42371-37-9.
What is the molecular formula of 5-Bromotetrazole?
The molecular formula of 5-Bromotetrazole is CHBrN4.
What is the molecular weight of 5-Bromotetrazole?
The molecular weight of 5-Bromotetrazole is 147.94 g/mol.
Where can I buy 5-Bromotetrazole?
You can request a quote for 5-Bromotetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromotetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromotetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.