Ethyl 2-(3-chloro-4-fluoroanilino)acetate
TL;DR: Ethyl 2-(3-chloro-4-fluoroanilino)acetate (CAS 2344-98-1) is a chemical compound with molecular formula C10H11ClFNO2 and molecular weight 231.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-chloro-4-fluoroanilino)acetate
Also Known As: ethyl 2-(3-chloro-4-fluoroanilino)acetate, 5-Bromogramine, ethylchlorofluoroanilinoacetate, Ethyl [(3-chloro-4-fluorophenyl)amino]acetate, Ethyl 2-((3-chloro-4-fluorophenyl)amino)acetate
| Molecular Formula | C10H11ClFNO2 |
|---|---|
| Molecular Weight | 231.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 231.04623 |
| Heavy Atoms | 15 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 2344-98-1 |
|---|---|
| SMILES | CCOC(=O)CNC1=CC(=C(C=C1)F)Cl |
| InChIKey | WHKWSCOKPZPNQV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-(3-chloro-4-fluoroanilino)acetate (CAS 2344-98-1), with molecular formula C10H11ClFNO2 and molecular weight 231.05 g/mol. IUPAC: ethyl 2-(3-chloro-4-fluoroanilino)acetate.
Chemical Property Profile of Ethyl 2-(3-chloro-4-fluoroanilino)acetate
Property Insights of Ethyl 2-(3-chloro-4-fluoroanilino)acetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(3-chloro-4-fluoroanilino)acetate. With a topological polar surface area (TPSA) of 38.3 Ų, Ethyl 2-(3-chloro-4-fluoroanilino)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(3-chloro-4-fluoroanilino)acetate 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 Ethyl 2-(3-chloro-4-fluoroanilino)acetate?
The CAS number of Ethyl 2-(3-chloro-4-fluoroanilino)acetate is 2344-98-1.
What is the molecular formula of Ethyl 2-(3-chloro-4-fluoroanilino)acetate?
The molecular formula of Ethyl 2-(3-chloro-4-fluoroanilino)acetate is C10H11ClFNO2.
What is the molecular weight of Ethyl 2-(3-chloro-4-fluoroanilino)acetate?
The molecular weight of Ethyl 2-(3-chloro-4-fluoroanilino)acetate is 231.05 g/mol.
Where can I buy Ethyl 2-(3-chloro-4-fluoroanilino)acetate?
You can request a quote for Ethyl 2-(3-chloro-4-fluoroanilino)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(3-chloro-4-fluoroanilino)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3-chloro-4-fluoroanilino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.