1-Propargyl-1H-benzotriazole
TL;DR: 1-Propargyl-1H-benzotriazole (CAS 142321-23-1) is a chemical compound with molecular formula C9H7N3 and molecular weight 157.064 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-prop-2-ynylbenzotriazole
Also Known As: 1-Propargyl-1H-benzotriazole, 1-prop-2-ynylbenzotriazole, 1-(Prop-2-yn-1-yl)-1H-benzo[d][1,2,3]triazole, 1-(2-Propynyl)-1H-benzotriazole, 1-propargylbenzotriazole
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H7N3 |
| Molecular Weight | 157.064 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.064 Da |
| Heavy Atoms | 12 |
| Complexity | 205.0 |
| SMILES | C#CCN1C2=CC=CC=C2N=N1 |
| InChIKey | HGIJKQXOOIWWGO-UHFFFAOYSA-N |
Chemical Property Profile of 1-Propargyl-1H-benzotriazole
Property Insights of 1-Propargyl-1H-benzotriazole
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propargyl-1H-benzotriazole. With a topological polar surface area (TPSA) of 30.7 Ų, 1-Propargyl-1H-benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propargyl-1H-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
What is the CAS number of 1-Propargyl-1H-benzotriazole?
The CAS number of 1-Propargyl-1H-benzotriazole is 142321-23-1.
What is the molecular formula of 1-Propargyl-1H-benzotriazole?
The molecular formula of 1-Propargyl-1H-benzotriazole is C9H7N3.
What is the molecular weight of 1-Propargyl-1H-benzotriazole?
The molecular weight of 1-Propargyl-1H-benzotriazole is 157.064 g/mol.
Where can I buy 1-Propargyl-1H-benzotriazole?
You can request a quote for 1-Propargyl-1H-benzotriazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Propargyl-1H-benzotriazole?
Yes, CoreyChem provides custom synthesis services for 1-Propargyl-1H-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.