![2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 4-ethylbenzoate structure](/static/products/391/391625-40-4.png)
2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 4-ethylbenzoate
TL;DR: 2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 4-ethylbenzoate (CAS 391625-40-4) is a chemical compound with molecular formula C17H15F2NO3 and molecular weight 319.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,6-difluoroanilino)-2-oxoethyl] 4-ethylbenzoate
Also Known As: 2-[(2,6-difluorophenyl)amino]-2-oxoethyl 4-ethylbenzoate, [2-(2,6-difluoroanilino)-2-oxoethyl] 4-ethylbenzoate
| Molecular Formula | C17H15F2NO3 |
|---|---|
| Molecular Weight | 319.10 g/mol |
| LogP | 3.3227 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.102 |
| Heavy Atoms | 23 |
| Complexity | 694.02844 |
Chemical Identifiers
| CAS Number | 391625-40-4 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=CC=C2F)F |
Product Overview
2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 4-ethylbenzoate (CAS 391625-40-4), with molecular formula C17H15F2NO3 and molecular weight 319.10 g/mol. IUPAC: [2-(2,6-difluoroanilino)-2-oxoethyl] 4-ethylbenzoate.
Chemical Property Profile of 2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 4-ethylbenzoate
Property Insights of 2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 4-ethylbenzoate
The XLogP value of 3.3227 indicates that 2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 4-ethylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 4-ethylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 4-ethylbenzoate has 1 hydrogen bond donor(s) and 3 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-[(2,6-Difluorophenyl)amino]-2-oxoethyl 4-ethylbenzoate?
The CAS number of 2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 4-ethylbenzoate is 391625-40-4.
What is the molecular formula of 2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 4-ethylbenzoate?
The molecular formula of 2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 4-ethylbenzoate is C17H15F2NO3.
What is the molecular weight of 2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 4-ethylbenzoate?
The molecular weight of 2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 4-ethylbenzoate is 319.10 g/mol.
Where can I buy 2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 4-ethylbenzoate?
You can request a quote for 2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 4-ethylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 4-ethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 4-ethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.