5-Phenyl-1H-tetrazole
TL;DR: 5-Phenyl-1H-tetrazole (CAS 18039-42-4) is a chemical compound with molecular formula C7H6N4 and molecular weight 146.05925 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-phenyl-2H-tetrazole
Also Known As: 5-Phenyl-1H-tetrazole, 5-Phenyl-2H-tetrazole, 5-Phenyltetrazole, 2H-Tetrazole, 5-phenyl-, Phenyltetrazole
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6N4 |
| Molecular Weight | 146.05925 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 54.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 146.05925 Da |
| Heavy Atoms | 11 |
| Complexity | 122.0 |
| Solubility | 3.2 [ug/mL] (The mean of the results at pH 7.4) |
| SMILES | C1=CC=C(C=C1)C2=NNN=N2 |
| InChIKey | MARUHZGHZWCEQU-UHFFFAOYSA-N |
Chemical Property Profile of 5-Phenyl-1H-tetrazole
Property Insights of 5-Phenyl-1H-tetrazole
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Phenyl-1H-tetrazole. With a topological polar surface area (TPSA) of 54.5 Ų, 5-Phenyl-1H-tetrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Phenyl-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
What is the CAS number of 5-Phenyl-1H-tetrazole?
The CAS number of 5-Phenyl-1H-tetrazole is 18039-42-4.
What is the molecular formula of 5-Phenyl-1H-tetrazole?
The molecular formula of 5-Phenyl-1H-tetrazole is C7H6N4.
What is the molecular weight of 5-Phenyl-1H-tetrazole?
The molecular weight of 5-Phenyl-1H-tetrazole is 146.05925 g/mol.
Where can I buy 5-Phenyl-1H-tetrazole?
You can request a quote for 5-Phenyl-1H-tetrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Phenyl-1H-tetrazole?
Yes, CoreyChem provides custom synthesis services for 5-Phenyl-1H-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.