![1-Phenethyl-1H-benzo[d][1,2,3]triazole structure](/static/products/6377/63777-68-4.webp)
1-Phenethyl-1H-benzo[d][1,2,3]triazole
TL;DR: 1-Phenethyl-1H-benzo[d][1,2,3]triazole (CAS 63777-68-4) is a chemical compound with molecular formula C14H13N3 and molecular weight 223.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-phenylethyl)benzotriazole
Also Known As: 1-Phenethyl-1H-benzo[d][1,2,3]triazole, 1-phenethylbenzotriazole, 1-(2-phenylethyl)benzotriazole, 1-phenethyl-1H-benzotriazole, ChemDiv3_005895
| Molecular Formula | C14H13N3 |
|---|---|
| Molecular Weight | 223.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.11095 |
| Heavy Atoms | 17 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 63777-68-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=N2 |
| InChIKey | GBHXISDJTKHBFA-UHFFFAOYSA-N |
Product Overview
1-Phenethyl-1H-benzo[d][1,2,3]triazole (CAS 63777-68-4), with molecular formula C14H13N3 and molecular weight 223.11 g/mol. IUPAC: 1-(2-phenylethyl)benzotriazole.
Chemical Property Profile of 1-Phenethyl-1H-benzo[d][1,2,3]triazole
Property Insights of 1-Phenethyl-1H-benzo[d][1,2,3]triazole
The XLogP value of 3.2 indicates that 1-Phenethyl-1H-benzo[d][1,2,3]triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.7 Ų, 1-Phenethyl-1H-benzo[d][1,2,3]triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenethyl-1H-benzo[d][1,2,3]triazole 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-Phenethyl-1H-benzo[d][1,2,3]triazole?
The CAS number of 1-Phenethyl-1H-benzo[d][1,2,3]triazole is 63777-68-4.
What is the molecular formula of 1-Phenethyl-1H-benzo[d][1,2,3]triazole?
The molecular formula of 1-Phenethyl-1H-benzo[d][1,2,3]triazole is C14H13N3.
What is the molecular weight of 1-Phenethyl-1H-benzo[d][1,2,3]triazole?
The molecular weight of 1-Phenethyl-1H-benzo[d][1,2,3]triazole is 223.11 g/mol.
Where can I buy 1-Phenethyl-1H-benzo[d][1,2,3]triazole?
You can request a quote for 1-Phenethyl-1H-benzo[d][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 1-Phenethyl-1H-benzo[d][1,2,3]triazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenethyl-1H-benzo[d][1,2,3]triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.