5-(2-phenylethyl)-1H-1,2,3,4-tetrazole
TL;DR: 5-(2-phenylethyl)-1H-1,2,3,4-tetrazole (CAS 192505-33-2) is a chemical compound with molecular formula C9H10N4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-phenylethyl)-2H-tetrazole
Also Known As: 5-(2-phenylethyl)-1H-1,2,3,4-tetrazole, 5-phenethyl-2H-tetrazole, 5-(2-phenylethyl)-2h-tetrazole, 5-phenethyl-1h-tetrazole, 5-(2-phenylethyl)-2H-1,2,3,4-tetrazole
| Molecular Formula | C9H10N4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 174.09055 |
| Heavy Atoms | 13 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 192505-33-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC2=NNN=N2 |
| InChIKey | AFVBZUWBUBBTKS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(2-phenylethyl)-1H-1,2,3,4-tetrazole (CAS 192505-33-2), with molecular formula C9H10N4 and molecular weight 174.09 g/mol. IUPAC: 5-(2-phenylethyl)-2H-tetrazole.
Chemical Property Profile of 5-(2-phenylethyl)-1H-1,2,3,4-tetrazole
Property Insights of 5-(2-phenylethyl)-1H-1,2,3,4-tetrazole
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-phenylethyl)-1H-1,2,3,4-tetrazole. With a topological polar surface area (TPSA) of 54.5 Ų, 5-(2-phenylethyl)-1H-1,2,3,4-tetrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-phenylethyl)-1H-1,2,3,4-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-(2-phenylethyl)-1H-1,2,3,4-tetrazole?
The CAS number of 5-(2-phenylethyl)-1H-1,2,3,4-tetrazole is 192505-33-2.
What is the molecular formula of 5-(2-phenylethyl)-1H-1,2,3,4-tetrazole?
The molecular formula of 5-(2-phenylethyl)-1H-1,2,3,4-tetrazole is C9H10N4.
What is the molecular weight of 5-(2-phenylethyl)-1H-1,2,3,4-tetrazole?
The molecular weight of 5-(2-phenylethyl)-1H-1,2,3,4-tetrazole is 174.09 g/mol.
Where can I buy 5-(2-phenylethyl)-1H-1,2,3,4-tetrazole?
You can request a quote for 5-(2-phenylethyl)-1H-1,2,3,4-tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-phenylethyl)-1H-1,2,3,4-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-phenylethyl)-1H-1,2,3,4-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.