2-((2,3-Dimethylphenyl)amino)-2-oxoethyl 4-cyano-2-fluorobenzoate
TL;DR: 2-((2,3-Dimethylphenyl)amino)-2-oxoethyl 4-cyano-2-fluorobenzoate (CAS 810693-44-8) is a chemical compound with molecular formula C18H15FN2O3 and molecular weight 326.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,3-dimethylanilino)-2-oxoethyl] 4-cyano-2-fluorobenzoate
Also Known As: [2-(2,3-dimethylanilino)-2-oxoethyl] 4-cyano-2-fluorobenzoate|2-((2,3-dimethylphenyl)amino)-2-oxoethyl 4-cyano-2-fluorobenzoate|2-[(2,3-dimethylphenyl)amino]-2-oxoethyl 4-cyano-2-fluorobenzoate
| Molecular Formula | C18H15FN2O3 |
|---|---|
| Molecular Weight | 326.11 g/mol |
| LogP | 3.10972 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.10666 |
| Heavy Atoms | 24 |
| Complexity | 840.6429 |
Chemical Identifiers
| CAS Number | 810693-44-8 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)C#N)F)C |
Product Overview
2-((2,3-Dimethylphenyl)amino)-2-oxoethyl 4-cyano-2-fluorobenzoate (CAS 810693-44-8), with molecular formula C18H15FN2O3 and molecular weight 326.11 g/mol. IUPAC: [2-(2,3-dimethylanilino)-2-oxoethyl] 4-cyano-2-fluorobenzoate.
Chemical Property Profile of 2-((2,3-Dimethylphenyl)amino)-2-oxoethyl 4-cyano-2-fluorobenzoate
Property Insights of 2-((2,3-Dimethylphenyl)amino)-2-oxoethyl 4-cyano-2-fluorobenzoate
The XLogP value of 3.10972 indicates that 2-((2,3-Dimethylphenyl)amino)-2-oxoethyl 4-cyano-2-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2,3-Dimethylphenyl)amino)-2-oxoethyl 4-cyano-2-fluorobenzoate. Following Lipinski's Rule of Five, 2-((2,3-Dimethylphenyl)amino)-2-oxoethyl 4-cyano-2-fluorobenzoate 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-((2,3-Dimethylphenyl)amino)-2-oxoethyl 4-cyano-2-fluorobenzoate?
The CAS number of 2-((2,3-Dimethylphenyl)amino)-2-oxoethyl 4-cyano-2-fluorobenzoate is 810693-44-8.
What is the molecular formula of 2-((2,3-Dimethylphenyl)amino)-2-oxoethyl 4-cyano-2-fluorobenzoate?
The molecular formula of 2-((2,3-Dimethylphenyl)amino)-2-oxoethyl 4-cyano-2-fluorobenzoate is C18H15FN2O3.
What is the molecular weight of 2-((2,3-Dimethylphenyl)amino)-2-oxoethyl 4-cyano-2-fluorobenzoate?
The molecular weight of 2-((2,3-Dimethylphenyl)amino)-2-oxoethyl 4-cyano-2-fluorobenzoate is 326.11 g/mol.
Where can I buy 2-((2,3-Dimethylphenyl)amino)-2-oxoethyl 4-cyano-2-fluorobenzoate?
You can request a quote for 2-((2,3-Dimethylphenyl)amino)-2-oxoethyl 4-cyano-2-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2,3-Dimethylphenyl)amino)-2-oxoethyl 4-cyano-2-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-((2,3-Dimethylphenyl)amino)-2-oxoethyl 4-cyano-2-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.