1-(1-Chloropropyl)benzotriazole
TL;DR: 1-(1-Chloropropyl)benzotriazole (CAS 111098-57-8) is a chemical compound with molecular formula C9H10ClN3 and molecular weight 195.05632 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1-chloropropyl)benzotriazole
Also Known As: 1-(1-chloropropyl)benzotriazole, 1-(1-Chloropropyl)-1H-benzotriazole, 1-(1-chloropropyl)-1H-1,2,3-benzotriazole, 1-((r,s)-1-chloro-propyl)-1h-benzotriazole, 1-(1-chloropropyl)-1H-benzo[d][1,2,3]triazole
Technical Specifications
| Molecular Formula | C9H10ClN3 |
| Molecular Weight | 195.05632 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.05632 Da |
| Heavy Atoms | 13 |
| Complexity | 176.0 |
| SMILES | CCC(N1C2=CC=CC=C2N=N1)Cl |
| InChIKey | UUVDOIDQYDUOCW-UHFFFAOYSA-N |
Chemical Property Profile of 1-(1-Chloropropyl)benzotriazole
Property Insights of 1-(1-Chloropropyl)benzotriazole
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Chloropropyl)benzotriazole. With a topological polar surface area (TPSA) of 30.7 Ų, 1-(1-Chloropropyl)benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Chloropropyl)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-(1-Chloropropyl)benzotriazole?
The CAS number of 1-(1-Chloropropyl)benzotriazole is 111098-57-8.
What is the molecular formula of 1-(1-Chloropropyl)benzotriazole?
The molecular formula of 1-(1-Chloropropyl)benzotriazole is C9H10ClN3.
What is the molecular weight of 1-(1-Chloropropyl)benzotriazole?
The molecular weight of 1-(1-Chloropropyl)benzotriazole is 195.05632 g/mol.
Where can I buy 1-(1-Chloropropyl)benzotriazole?
You can request a quote for 1-(1-Chloropropyl)benzotriazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(1-Chloropropyl)benzotriazole?
Yes, CoreyChem provides custom synthesis services for 1-(1-Chloropropyl)benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.