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Ethyl [(chloroacetyl)(4-fluorophenyl)amino]acetate
TL;DR: Ethyl [(chloroacetyl)(4-fluorophenyl)amino]acetate (CAS 60145-88-2) is a chemical compound with molecular formula C12H13ClFNO3 and molecular weight 273.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(N-(2-chloroacetyl)-4-fluoroanilino)acetate
Also Known As: ethyl [(chloroacetyl)(4-fluorophenyl)amino]acetate, ethyl 2-(N-(2-chloroacetyl)-4-fluoroanilino)acetate, Ethyl n-(2-chloroacetyl)-n-(4-fluorophenyl)glycinate, ETHYL 2-[2-CHLORO-N-(4-FLUOROPHENYL)ACETAMIDO]ACETATE, Ethyl[(chloroacetyl)(4-fluorophenyl)amino]acetate
| Molecular Formula | C12H13ClFNO3 |
|---|---|
| Molecular Weight | 273.06 g/mol |
| LogP | 1.9606 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.0568 |
| Heavy Atoms | 18 |
| Complexity | 421.83563 |
Chemical Identifiers
| CAS Number | 60145-88-2 |
|---|---|
| SMILES | CCOC(=O)CN(C1=CC=C(C=C1)F)C(=O)CCl |
Product Overview
Ethyl [(chloroacetyl)(4-fluorophenyl)amino]acetate (CAS 60145-88-2), with molecular formula C12H13ClFNO3 and molecular weight 273.06 g/mol. IUPAC: ethyl 2-(N-(2-chloroacetyl)-4-fluoroanilino)acetate.
Chemical Property Profile of Ethyl [(chloroacetyl)(4-fluorophenyl)amino]acetate
Property Insights of Ethyl [(chloroacetyl)(4-fluorophenyl)amino]acetate
The XLogP value of 1.9606 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl [(chloroacetyl)(4-fluorophenyl)amino]acetate. With a topological polar surface area (TPSA) of 46.61 Ų, Ethyl [(chloroacetyl)(4-fluorophenyl)amino]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl [(chloroacetyl)(4-fluorophenyl)amino]acetate has 0 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 Ethyl [(chloroacetyl)(4-fluorophenyl)amino]acetate?
The CAS number of Ethyl [(chloroacetyl)(4-fluorophenyl)amino]acetate is 60145-88-2.
What is the molecular formula of Ethyl [(chloroacetyl)(4-fluorophenyl)amino]acetate?
The molecular formula of Ethyl [(chloroacetyl)(4-fluorophenyl)amino]acetate is C12H13ClFNO3.
What is the molecular weight of Ethyl [(chloroacetyl)(4-fluorophenyl)amino]acetate?
The molecular weight of Ethyl [(chloroacetyl)(4-fluorophenyl)amino]acetate is 273.06 g/mol.
Where can I buy Ethyl [(chloroacetyl)(4-fluorophenyl)amino]acetate?
You can request a quote for Ethyl [(chloroacetyl)(4-fluorophenyl)amino]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl [(chloroacetyl)(4-fluorophenyl)amino]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl [(chloroacetyl)(4-fluorophenyl)amino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.