2-(N-Ethyl-4-formylanilino)ethyl benzoate
TL;DR: 2-(N-Ethyl-4-formylanilino)ethyl benzoate (CAS 53683-41-3) is a chemical compound with molecular formula C18H19NO3 and molecular weight 297.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(N-ethyl-4-formylanilino)ethyl benzoate
Also Known As: 2- ethylbenzoate, 2-(N-Ethyl-4-formylanilino)ethyl benzoate, 2-[ethyl(4-formylphenyl)amino]ethyl benzoate, 2-(n-ethyl-4-formyl(phenylamino))ethylbenzoate, 4-[[2-(Benzoyloxy)ethyl]ethylamino]benzaldehyde
| Molecular Formula | C18H19NO3 |
|---|---|
| Molecular Weight | 297.14 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 297.1365 |
| Heavy Atoms | 22 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 53683-41-3 |
|---|---|
| SMILES | CCN(CCOC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)C=O |
| InChIKey | TYZURZJBRCXDGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(N-Ethyl-4-formylanilino)ethyl benzoate (CAS 53683-41-3), with molecular formula C18H19NO3 and molecular weight 297.14 g/mol. IUPAC: 2-(N-ethyl-4-formylanilino)ethyl benzoate.
Chemical Property Profile of 2-(N-Ethyl-4-formylanilino)ethyl benzoate
Property Insights of 2-(N-Ethyl-4-formylanilino)ethyl benzoate
The XLogP value of 3.2 indicates that 2-(N-Ethyl-4-formylanilino)ethyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, 2-(N-Ethyl-4-formylanilino)ethyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(N-Ethyl-4-formylanilino)ethyl benzoate 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
Frequently Asked Questions
What is the CAS number of 2-(N-Ethyl-4-formylanilino)ethyl benzoate?
The CAS number of 2-(N-Ethyl-4-formylanilino)ethyl benzoate is 53683-41-3.
What is the molecular formula of 2-(N-Ethyl-4-formylanilino)ethyl benzoate?
The molecular formula of 2-(N-Ethyl-4-formylanilino)ethyl benzoate is C18H19NO3.
What is the molecular weight of 2-(N-Ethyl-4-formylanilino)ethyl benzoate?
The molecular weight of 2-(N-Ethyl-4-formylanilino)ethyl benzoate is 297.14 g/mol.
Where can I buy 2-(N-Ethyl-4-formylanilino)ethyl benzoate?
You can request a quote for 2-(N-Ethyl-4-formylanilino)ethyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(N-Ethyl-4-formylanilino)ethyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(N-Ethyl-4-formylanilino)ethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.