4-phenyl-1H-1,2,3-triazole
TL;DR: 4-phenyl-1H-1,2,3-triazole (CAS 112614-96-7) is a chemical compound with molecular formula C8H7N3 and molecular weight 145.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-2H-triazole
Also Known As: 5-phenyl-1H-1,2,3-triazole, 4-Phenyl-1H-1,2,3-triazole, 4-phenyl-2H-triazole, phenyltriazole, 4-phenyltriazole
| Molecular Formula | C8H7N3 |
|---|---|
| Molecular Weight | 145.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 145.064 |
| Heavy Atoms | 11 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 112614-96-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNN=C2 |
| InChIKey | LUEYUHCBBXWTQT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-phenyl-1H-1,2,3-triazole (CAS 112614-96-7), with molecular formula C8H7N3 and molecular weight 145.06 g/mol. IUPAC: 4-phenyl-2H-triazole.
Chemical Property Profile of 4-phenyl-1H-1,2,3-triazole
Property Insights of 4-phenyl-1H-1,2,3-triazole
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-phenyl-1H-1,2,3-triazole. With a topological polar surface area (TPSA) of 41.6 Ų, 4-phenyl-1H-1,2,3-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-phenyl-1H-1,2,3-triazole has 1 hydrogen bond donor(s) and 2 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 4-phenyl-1H-1,2,3-triazole?
The CAS number of 4-phenyl-1H-1,2,3-triazole is 112614-96-7.
What is the molecular formula of 4-phenyl-1H-1,2,3-triazole?
The molecular formula of 4-phenyl-1H-1,2,3-triazole is C8H7N3.
What is the molecular weight of 4-phenyl-1H-1,2,3-triazole?
The molecular weight of 4-phenyl-1H-1,2,3-triazole is 145.06 g/mol.
Where can I buy 4-phenyl-1H-1,2,3-triazole?
You can request a quote for 4-phenyl-1H-1,2,3-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-phenyl-1H-1,2,3-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-phenyl-1H-1,2,3-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.