![Ethyl 3-{4-[(2-chloroacetyl)oxy]-2-fluoroanilino}-2-cyanoacrylate structure](/static/products/2390/239081-33-5.webp)
Ethyl 3-{4-[(2-chloroacetyl)oxy]-2-fluoroanilino}-2-cyanoacrylate
TL;DR: Ethyl 3-{4-[(2-chloroacetyl)oxy]-2-fluoroanilino}-2-cyanoacrylate (CAS 239081-33-5) is a chemical compound with molecular formula C14H12ClFN2O4 and molecular weight 326.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-[4-(2-chloroacetyl)oxy-2-fluoroanilino]-2-cyanoprop-2-enoate
Also Known As: ethyl 3-{4-[(2-chloroacetyl)oxy]-2-fluoroanilino}-2-cyanoacrylate, ethyl (E)-3-[4-(2-chloroacetyl)oxy-2-fluoroanilino]-2-cyanoprop-2-enoate, ethyl 3-({4-[(2-chloroacetyl)oxy]-2-fluorophenyl}amino)-2-cyanoprop-2-enoate
| Molecular Formula | C14H12ClFN2O4 |
|---|---|
| Molecular Weight | 326.05 g/mol |
| LogP | 2.35238 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.04697 |
| Heavy Atoms | 22 |
| Complexity | 640.2203 |
Chemical Identifiers
| CAS Number | 239081-33-5 |
|---|---|
| SMILES | CCOC(=O)/C(=C/NC1=C(C=C(C=C1)OC(=O)CCl)F)/C#N |
Product Overview
Ethyl 3-{4-[(2-chloroacetyl)oxy]-2-fluoroanilino}-2-cyanoacrylate (CAS 239081-33-5), with molecular formula C14H12ClFN2O4 and molecular weight 326.05 g/mol. IUPAC: ethyl (E)-3-[4-(2-chloroacetyl)oxy-2-fluoroanilino]-2-cyanoprop-2-enoate.
Chemical Property Profile of Ethyl 3-{4-[(2-chloroacetyl)oxy]-2-fluoroanilino}-2-cyanoacrylate
Property Insights of Ethyl 3-{4-[(2-chloroacetyl)oxy]-2-fluoroanilino}-2-cyanoacrylate
The XLogP value of 2.35238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-{4-[(2-chloroacetyl)oxy]-2-fluoroanilino}-2-cyanoacrylate. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-{4-[(2-chloroacetyl)oxy]-2-fluoroanilino}-2-cyanoacrylate. Following Lipinski's Rule of Five, Ethyl 3-{4-[(2-chloroacetyl)oxy]-2-fluoroanilino}-2-cyanoacrylate has 1 hydrogen bond donor(s) and 6 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 Ethyl 3-{4-[(2-chloroacetyl)oxy]-2-fluoroanilino}-2-cyanoacrylate?
The CAS number of Ethyl 3-{4-[(2-chloroacetyl)oxy]-2-fluoroanilino}-2-cyanoacrylate is 239081-33-5.
What is the molecular formula of Ethyl 3-{4-[(2-chloroacetyl)oxy]-2-fluoroanilino}-2-cyanoacrylate?
The molecular formula of Ethyl 3-{4-[(2-chloroacetyl)oxy]-2-fluoroanilino}-2-cyanoacrylate is C14H12ClFN2O4.
What is the molecular weight of Ethyl 3-{4-[(2-chloroacetyl)oxy]-2-fluoroanilino}-2-cyanoacrylate?
The molecular weight of Ethyl 3-{4-[(2-chloroacetyl)oxy]-2-fluoroanilino}-2-cyanoacrylate is 326.05 g/mol.
Where can I buy Ethyl 3-{4-[(2-chloroacetyl)oxy]-2-fluoroanilino}-2-cyanoacrylate?
You can request a quote for Ethyl 3-{4-[(2-chloroacetyl)oxy]-2-fluoroanilino}-2-cyanoacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-{4-[(2-chloroacetyl)oxy]-2-fluoroanilino}-2-cyanoacrylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-{4-[(2-chloroacetyl)oxy]-2-fluoroanilino}-2-cyanoacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.