1-(1-chloro-2,2-dimethylpropyl)-1H-1,2,3-benzotriazole
TL;DR: 1-(1-chloro-2,2-dimethylpropyl)-1H-1,2,3-benzotriazole (CAS 111098-60-3) is a chemical compound with molecular formula C11H14ClN3 and molecular weight 223.08763 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1-chloro-2,2-dimethylpropyl)benzotriazole
Also Known As: 1-(1-chloro-2,2-dimethylpropyl)benzotriazole, 1-(1-chloro-2,2-dimethyl-propyl)benzotriazole, 1-(benzotriazol-1-yl)-1-chloro-2,2-dimethylpropane, AE-018/31857034, 1-(1-chloro-2,2-dimethylpropyl)-1H-1,2,3-benzotriazole
Technical Specifications
| Molecular Formula | C11H14ClN3 |
| Molecular Weight | 223.08763 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.08763 Da |
| Heavy Atoms | 15 |
| Complexity | 226.0 |
| SMILES | CC(C)(C)C(N1C2=CC=CC=C2N=N1)Cl |
| InChIKey | XNPXDWUQAAMDKB-UHFFFAOYSA-N |
Chemical Property Profile of 1-(1-chloro-2,2-dimethylpropyl)-1H-1,2,3-benzotriazole
Property Insights of 1-(1-chloro-2,2-dimethylpropyl)-1H-1,2,3-benzotriazole
The XLogP value of 3.7 indicates that 1-(1-chloro-2,2-dimethylpropyl)-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-(1-chloro-2,2-dimethylpropyl)-1H-1,2,3-benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-chloro-2,2-dimethylpropyl)-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-(1-chloro-2,2-dimethylpropyl)-1H-1,2,3-benzotriazole?
The CAS number of 1-(1-chloro-2,2-dimethylpropyl)-1H-1,2,3-benzotriazole is 111098-60-3.
What is the molecular formula of 1-(1-chloro-2,2-dimethylpropyl)-1H-1,2,3-benzotriazole?
The molecular formula of 1-(1-chloro-2,2-dimethylpropyl)-1H-1,2,3-benzotriazole is C11H14ClN3.
What is the molecular weight of 1-(1-chloro-2,2-dimethylpropyl)-1H-1,2,3-benzotriazole?
The molecular weight of 1-(1-chloro-2,2-dimethylpropyl)-1H-1,2,3-benzotriazole is 223.08763 g/mol.
Where can I buy 1-(1-chloro-2,2-dimethylpropyl)-1H-1,2,3-benzotriazole?
You can request a quote for 1-(1-chloro-2,2-dimethylpropyl)-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-(1-chloro-2,2-dimethylpropyl)-1H-1,2,3-benzotriazole?
Yes, CoreyChem provides custom synthesis services for 1-(1-chloro-2,2-dimethylpropyl)-1H-1,2,3-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.