1-Phenyl-1,2,3-benzotriazole
TL;DR: 1-Phenyl-1,2,3-benzotriazole (CAS 883-39-6) is a chemical compound with molecular formula C12H9N3 and molecular weight 195.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylbenzotriazole
Also Known As: 1-Phenyl-1H-benzo[d][1,2,3]triazole, 1-Phenylbenzotriazole, 1H-Benzotriazole, 1-phenyl-, 1-Phenyl-1,2,3-benzotriazole, 1-Phenyl-1H-benzotriazole
| Molecular Formula | C12H9N3 |
|---|---|
| Molecular Weight | 195.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.07965 |
| Heavy Atoms | 15 |
| Complexity | 213.0 |
| Solubility | 3.9 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 883-39-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=CC=CC=C3N=N2 |
| InChIKey | ZBJLUVHQIPUCPM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenyl-1,2,3-benzotriazole (CAS 883-39-6), with molecular formula C12H9N3 and molecular weight 195.08 g/mol. IUPAC: 1-phenylbenzotriazole.
Chemical Property Profile of 1-Phenyl-1,2,3-benzotriazole
Property Insights of 1-Phenyl-1,2,3-benzotriazole
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-1,2,3-benzotriazole. With a topological polar surface area (TPSA) of 30.7 Ų, 1-Phenyl-1,2,3-benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-1,2,3-benzotriazole has 0 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 1-Phenyl-1,2,3-benzotriazole?
The CAS number of 1-Phenyl-1,2,3-benzotriazole is 883-39-6.
What is the molecular formula of 1-Phenyl-1,2,3-benzotriazole?
The molecular formula of 1-Phenyl-1,2,3-benzotriazole is C12H9N3.
What is the molecular weight of 1-Phenyl-1,2,3-benzotriazole?
The molecular weight of 1-Phenyl-1,2,3-benzotriazole is 195.08 g/mol.
Where can I buy 1-Phenyl-1,2,3-benzotriazole?
You can request a quote for 1-Phenyl-1,2,3-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-1,2,3-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-1,2,3-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.