![2-[(2,5-Difluorophenyl)amino]-2-oxoethyl 4-cyanobenzoate structure](/static/products/479/479533-14-7.png)
2-[(2,5-Difluorophenyl)amino]-2-oxoethyl 4-cyanobenzoate
TL;DR: 2-[(2,5-Difluorophenyl)amino]-2-oxoethyl 4-cyanobenzoate (CAS 479533-14-7) is a chemical compound with molecular formula C16H10F2N2O3 and molecular weight 316.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,5-difluoroanilino)-2-oxoethyl] 4-cyanobenzoate
Also Known As: 2-[(2,5-difluorophenyl)amino]-2-oxoethyl 4-cyanobenzoate, [2-(2,5-difluoroanilino)-2-oxoethyl] 4-cyanobenzoate
| Molecular Formula | C16H10F2N2O3 |
|---|---|
| Molecular Weight | 316.07 g/mol |
| LogP | 2.63198 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.06595 |
| Heavy Atoms | 23 |
| Complexity | 782.90265 |
Chemical Identifiers
| CAS Number | 479533-14-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)C(=O)OCC(=O)NC2=C(C=CC(=C2)F)F |
Product Overview
2-[(2,5-Difluorophenyl)amino]-2-oxoethyl 4-cyanobenzoate (CAS 479533-14-7), with molecular formula C16H10F2N2O3 and molecular weight 316.07 g/mol. IUPAC: [2-(2,5-difluoroanilino)-2-oxoethyl] 4-cyanobenzoate.
Chemical Property Profile of 2-[(2,5-Difluorophenyl)amino]-2-oxoethyl 4-cyanobenzoate
Property Insights of 2-[(2,5-Difluorophenyl)amino]-2-oxoethyl 4-cyanobenzoate
The XLogP value of 2.63198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2,5-Difluorophenyl)amino]-2-oxoethyl 4-cyanobenzoate. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2,5-Difluorophenyl)amino]-2-oxoethyl 4-cyanobenzoate. Following Lipinski's Rule of Five, 2-[(2,5-Difluorophenyl)amino]-2-oxoethyl 4-cyanobenzoate has 1 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-[(2,5-Difluorophenyl)amino]-2-oxoethyl 4-cyanobenzoate?
The CAS number of 2-[(2,5-Difluorophenyl)amino]-2-oxoethyl 4-cyanobenzoate is 479533-14-7.
What is the molecular formula of 2-[(2,5-Difluorophenyl)amino]-2-oxoethyl 4-cyanobenzoate?
The molecular formula of 2-[(2,5-Difluorophenyl)amino]-2-oxoethyl 4-cyanobenzoate is C16H10F2N2O3.
What is the molecular weight of 2-[(2,5-Difluorophenyl)amino]-2-oxoethyl 4-cyanobenzoate?
The molecular weight of 2-[(2,5-Difluorophenyl)amino]-2-oxoethyl 4-cyanobenzoate is 316.07 g/mol.
Where can I buy 2-[(2,5-Difluorophenyl)amino]-2-oxoethyl 4-cyanobenzoate?
You can request a quote for 2-[(2,5-Difluorophenyl)amino]-2-oxoethyl 4-cyanobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2,5-Difluorophenyl)amino]-2-oxoethyl 4-cyanobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,5-Difluorophenyl)amino]-2-oxoethyl 4-cyanobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.