(E)-methyl 2-((2-ethylhex-1-en-1-yl)amino)benzoate
TL;DR: (E)-methyl 2-((2-ethylhex-1-en-1-yl)amino)benzoate (CAS 115542-16-0) is a chemical compound with molecular formula C16H23NO2 and molecular weight 261.17288 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[[(E)-2-ethylhex-1-enyl]amino]benzoate
Also Known As: methyl 2-[[(E)-2-ethylhex-1-enyl]amino]benzoate, (E)-methyl 2-((2-ethylhex-1-en-1-yl)amino)benzoate, METHYL 2-{[(1E)-2-ETHYLHEX-1-EN-1-YL]AMINO}BENZOATE
Technical Specifications
| Molecular Formula | C16H23NO2 |
| Molecular Weight | 261.17288 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 261.17288 Da |
| Heavy Atoms | 19 |
| Complexity | 299.0 |
| SMILES | CCCC/C(=C/NC1=CC=CC=C1C(=O)OC)/CC |
| InChIKey | RRTGRAJPHHOKNP-OUKQBFOZSA-N |
Chemical Property Profile of (E)-methyl 2-((2-ethylhex-1-en-1-yl)amino)benzoate
Property Insights of (E)-methyl 2-((2-ethylhex-1-en-1-yl)amino)benzoate
The XLogP value of 5.6 indicates that (E)-methyl 2-((2-ethylhex-1-en-1-yl)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, (E)-methyl 2-((2-ethylhex-1-en-1-yl)amino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-methyl 2-((2-ethylhex-1-en-1-yl)amino)benzoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (E)-methyl 2-((2-ethylhex-1-en-1-yl)amino)benzoate?
The CAS number of (E)-methyl 2-((2-ethylhex-1-en-1-yl)amino)benzoate is 115542-16-0.
What is the molecular formula of (E)-methyl 2-((2-ethylhex-1-en-1-yl)amino)benzoate?
The molecular formula of (E)-methyl 2-((2-ethylhex-1-en-1-yl)amino)benzoate is C16H23NO2.
What is the molecular weight of (E)-methyl 2-((2-ethylhex-1-en-1-yl)amino)benzoate?
The molecular weight of (E)-methyl 2-((2-ethylhex-1-en-1-yl)amino)benzoate is 261.17288 g/mol.
Where can I buy (E)-methyl 2-((2-ethylhex-1-en-1-yl)amino)benzoate?
You can request a quote for (E)-methyl 2-((2-ethylhex-1-en-1-yl)amino)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-methyl 2-((2-ethylhex-1-en-1-yl)amino)benzoate?
Yes, CoreyChem provides custom synthesis services for (E)-methyl 2-((2-ethylhex-1-en-1-yl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.