![[2-(2-Cyanoanilino)-2-oxoethyl] 2,4-difluorobenzoate structure](/static/products/3915/391598-06-4.webp)
[2-(2-Cyanoanilino)-2-oxoethyl] 2,4-difluorobenzoate
TL;DR: [2-(2-Cyanoanilino)-2-oxoethyl] 2,4-difluorobenzoate (CAS 391598-06-4) 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-cyanoanilino)-2-oxoethyl] 2,4-difluorobenzoate
Also Known As: [2-(2-cyanoanilino)-2-oxoethyl] 2,4-difluorobenzoate|(2-cyanophenyl)carbamoylmethyl 2,4-difluorobenzoate|2-(2-Cyanoanilino)-2-oxoethyl 2,4-difluorobenzoate|MLS001172509|SMR000590342
| 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 | 800.15265 |
Chemical Identifiers
| CAS Number | 391598-06-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)NC(=O)COC(=O)C2=C(C=C(C=C2)F)F |
Product Overview
[2-(2-Cyanoanilino)-2-oxoethyl] 2,4-difluorobenzoate (CAS 391598-06-4), with molecular formula C16H10F2N2O3 and molecular weight 316.07 g/mol. IUPAC: [2-(2-cyanoanilino)-2-oxoethyl] 2,4-difluorobenzoate.
Chemical Property Profile of [2-(2-Cyanoanilino)-2-oxoethyl] 2,4-difluorobenzoate
Property Insights of [2-(2-Cyanoanilino)-2-oxoethyl] 2,4-difluorobenzoate
The XLogP value of 2.63198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(2-Cyanoanilino)-2-oxoethyl] 2,4-difluorobenzoate. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(2-Cyanoanilino)-2-oxoethyl] 2,4-difluorobenzoate. Following Lipinski's Rule of Five, [2-(2-Cyanoanilino)-2-oxoethyl] 2,4-difluorobenzoate 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-Cyanoanilino)-2-oxoethyl] 2,4-difluorobenzoate?
The CAS number of [2-(2-Cyanoanilino)-2-oxoethyl] 2,4-difluorobenzoate is 391598-06-4.
What is the molecular formula of [2-(2-Cyanoanilino)-2-oxoethyl] 2,4-difluorobenzoate?
The molecular formula of [2-(2-Cyanoanilino)-2-oxoethyl] 2,4-difluorobenzoate is C16H10F2N2O3.
What is the molecular weight of [2-(2-Cyanoanilino)-2-oxoethyl] 2,4-difluorobenzoate?
The molecular weight of [2-(2-Cyanoanilino)-2-oxoethyl] 2,4-difluorobenzoate is 316.07 g/mol.
Where can I buy [2-(2-Cyanoanilino)-2-oxoethyl] 2,4-difluorobenzoate?
You can request a quote for [2-(2-Cyanoanilino)-2-oxoethyl] 2,4-difluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(2-Cyanoanilino)-2-oxoethyl] 2,4-difluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(2-Cyanoanilino)-2-oxoethyl] 2,4-difluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.