1-Heptyl-1H-1,2,3-benzotriazole
TL;DR: 1-Heptyl-1H-1,2,3-benzotriazole (CAS 131164-34-6) is a chemical compound with molecular formula C13H19N3 and molecular weight 217.1579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-heptylbenzotriazole
Also Known As: 1-heptylbenzotriazole, 1-Heptyl-1H-1,2,3-benzotriazole, starbld0024394, 1-Heptyl-1H-benzo[d][1,2,3]triazole
Technical Specifications
| Molecular Formula | C13H19N3 |
| Molecular Weight | 217.1579 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 217.1579 Da |
| Heavy Atoms | 16 |
| Complexity | 196.0 |
| SMILES | CCCCCCCN1C2=CC=CC=C2N=N1 |
| InChIKey | RVDZIFNXDDHTNX-UHFFFAOYSA-N |
Chemical Property Profile of 1-Heptyl-1H-1,2,3-benzotriazole
Property Insights of 1-Heptyl-1H-1,2,3-benzotriazole
The XLogP value of 4.2 indicates that 1-Heptyl-1H-1,2,3-benzotriazole 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-Heptyl-1H-1,2,3-benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Heptyl-1H-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
What is the CAS number of 1-Heptyl-1H-1,2,3-benzotriazole?
The CAS number of 1-Heptyl-1H-1,2,3-benzotriazole is 131164-34-6.
What is the molecular formula of 1-Heptyl-1H-1,2,3-benzotriazole?
The molecular formula of 1-Heptyl-1H-1,2,3-benzotriazole is C13H19N3.
What is the molecular weight of 1-Heptyl-1H-1,2,3-benzotriazole?
The molecular weight of 1-Heptyl-1H-1,2,3-benzotriazole is 217.1579 g/mol.
Where can I buy 1-Heptyl-1H-1,2,3-benzotriazole?
You can request a quote for 1-Heptyl-1H-1,2,3-benzotriazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Heptyl-1H-1,2,3-benzotriazole?
Yes, CoreyChem provides custom synthesis services for 1-Heptyl-1H-1,2,3-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.