Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)hexanoate
TL;DR: Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)hexanoate (CAS 115054-74-5) is a chemical compound with molecular formula C14H19N3O2 and molecular weight 261.14774 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(benzotriazol-1-yl)hexanoate
Also Known As: starbld0043910, Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)hexanoate, ethyl 2-(benzotriazol-1-yl)hexanoate, Ethyl 2-benzotriazol-1-ylhexanoate, Ethyl 2-(1H-benzo[d][1,2,3]triazol-1-yl)hexanoate
Technical Specifications
| Molecular Formula | C14H19N3O2 |
| Molecular Weight | 261.14774 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 57.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 261.14774 Da |
| Heavy Atoms | 19 |
| Complexity | 298.0 |
| SMILES | CCCCC(C(=O)OCC)N1C2=CC=CC=C2N=N1 |
| InChIKey | VHLPRPNWDYYHCW-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)hexanoate
Property Insights of Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)hexanoate
The XLogP value of 3.3 indicates that Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.0 Ų, Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)hexanoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)hexanoate?
The CAS number of Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)hexanoate is 115054-74-5.
What is the molecular formula of Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)hexanoate?
The molecular formula of Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)hexanoate is C14H19N3O2.
What is the molecular weight of Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)hexanoate?
The molecular weight of Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)hexanoate is 261.14774 g/mol.
Where can I buy Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)hexanoate?
You can request a quote for Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)hexanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)hexanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.