2-Propylbenzotriazole
TL;DR: 2-Propylbenzotriazole (CAS 16584-03-5) is a chemical compound with molecular formula C9H11N3 and molecular weight 161.09529 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-propylbenzotriazole
Also Known As: 2-propylbenzotriazole, 2-Propyl-2H-benzotriazole, 2-propyl-2H-1,2,3-benzotriazole, J1.604.368K
Technical Specifications
| Molecular Formula | C9H11N3 |
| Molecular Weight | 161.09529 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 161.09529 Da |
| Heavy Atoms | 12 |
| Complexity | 135.0 |
| SMILES | CCCN1N=C2C=CC=CC2=N1 |
| InChIKey | MNTRQYJOOUIDTM-UHFFFAOYSA-N |
Chemical Property Profile of 2-Propylbenzotriazole
Property Insights of 2-Propylbenzotriazole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propylbenzotriazole. With a topological polar surface area (TPSA) of 30.7 Ų, 2-Propylbenzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propylbenzotriazole 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 2-Propylbenzotriazole?
The CAS number of 2-Propylbenzotriazole is 16584-03-5.
What is the molecular formula of 2-Propylbenzotriazole?
The molecular formula of 2-Propylbenzotriazole is C9H11N3.
What is the molecular weight of 2-Propylbenzotriazole?
The molecular weight of 2-Propylbenzotriazole is 161.09529 g/mol.
Where can I buy 2-Propylbenzotriazole?
You can request a quote for 2-Propylbenzotriazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Propylbenzotriazole?
Yes, CoreyChem provides custom synthesis services for 2-Propylbenzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.