ethyl 2-(1H-1,2,3-benzotriazol-1-yl)butanoate
TL;DR: ethyl 2-(1H-1,2,3-benzotriazol-1-yl)butanoate (CAS 115054-78-9) is a chemical compound with molecular formula C12H15N3O2 and molecular weight 233.11642 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(benzotriazol-1-yl)butanoate
Also Known As: Ethyl 2-benzotriazol-1-ylbutanoate, ethyl 2-(benzotriazol-1-yl)butanoate, ethyl 2-(1H-1,2,3-benzotriazol-1-yl)butanoate, J1.559.354G, alpha-Ethyl-1H-benzotriazole-1-acetic acid ethyl ester
Technical Specifications
| Molecular Formula | C12H15N3O2 |
| Molecular Weight | 233.11642 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 57.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 233.11642 Da |
| Heavy Atoms | 17 |
| Complexity | 272.0 |
| SMILES | CCC(C(=O)OCC)N1C2=CC=CC=C2N=N1 |
| InChIKey | OYAADIDFYPGDKR-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 2-(1H-1,2,3-benzotriazol-1-yl)butanoate
Property Insights of ethyl 2-(1H-1,2,3-benzotriazol-1-yl)butanoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(1H-1,2,3-benzotriazol-1-yl)butanoate. With a topological polar surface area (TPSA) of 57.0 Ų, ethyl 2-(1H-1,2,3-benzotriazol-1-yl)butanoate 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)butanoate 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)butanoate?
The CAS number of ethyl 2-(1H-1,2,3-benzotriazol-1-yl)butanoate is 115054-78-9.
What is the molecular formula of ethyl 2-(1H-1,2,3-benzotriazol-1-yl)butanoate?
The molecular formula of ethyl 2-(1H-1,2,3-benzotriazol-1-yl)butanoate is C12H15N3O2.
What is the molecular weight of ethyl 2-(1H-1,2,3-benzotriazol-1-yl)butanoate?
The molecular weight of ethyl 2-(1H-1,2,3-benzotriazol-1-yl)butanoate is 233.11642 g/mol.
Where can I buy ethyl 2-(1H-1,2,3-benzotriazol-1-yl)butanoate?
You can request a quote for ethyl 2-(1H-1,2,3-benzotriazol-1-yl)butanoate 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)butanoate?
Yes, CoreyChem provides custom synthesis services for ethyl 2-(1H-1,2,3-benzotriazol-1-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.