5-Benzyl-1H-tetrazole
TL;DR: 5-Benzyl-1H-tetrazole (CAS 18489-25-3) is a chemical compound with molecular formula C8H8N4 and molecular weight 160.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-2H-tetrazole
Also Known As: 5-Benzyl-1H-tetrazole, 5-benzyl-2H-tetrazole, 5-benzyltetrazole, 5-phenylmethyltetrazole, 5-benzyl-1H-tetraazole
| Molecular Formula | C8H8N4 |
|---|---|
| Molecular Weight | 160.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 160.07489 |
| Heavy Atoms | 12 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 18489-25-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NNN=N2 |
| InChIKey | HHDRWGJJZGJSGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Benzyl-1H-tetrazole (CAS 18489-25-3), with molecular formula C8H8N4 and molecular weight 160.07 g/mol. IUPAC: 5-benzyl-2H-tetrazole.
Chemical Property Profile of 5-Benzyl-1H-tetrazole
Property Insights of 5-Benzyl-1H-tetrazole
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzyl-1H-tetrazole. With a topological polar surface area (TPSA) of 54.5 Ų, 5-Benzyl-1H-tetrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzyl-1H-tetrazole 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-Benzyl-1H-tetrazole?
The CAS number of 5-Benzyl-1H-tetrazole is 18489-25-3.
What is the molecular formula of 5-Benzyl-1H-tetrazole?
The molecular formula of 5-Benzyl-1H-tetrazole is C8H8N4.
What is the molecular weight of 5-Benzyl-1H-tetrazole?
The molecular weight of 5-Benzyl-1H-tetrazole is 160.07 g/mol.
Where can I buy 5-Benzyl-1H-tetrazole?
You can request a quote for 5-Benzyl-1H-tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzyl-1H-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzyl-1H-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.