Ethyl 3-chloro-2-fluorocarbanilate
TL;DR: Ethyl 3-chloro-2-fluorocarbanilate (CAS 2317-75-1) is a chemical compound with molecular formula C9H9ClFNO2 and molecular weight 217.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(3-chloro-2-fluorophenyl)carbamate
Also Known As: ethyl 3-chloro-2-fluorocarbanilate, ethyl (3-chloro-2-fluorophenyl)carbamate, ethyl N-(3-chloro-2-fluorophenyl)carbamate
| Molecular Formula | C9H9ClFNO2 |
|---|---|
| Molecular Weight | 217.03 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.03058 |
| Heavy Atoms | 14 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 2317-75-1 |
|---|---|
| SMILES | CCOC(=O)NC1=C(C(=CC=C1)Cl)F |
| InChIKey | FQGLORUSFDHKMT-UHFFFAOYSA-N |
Product Overview
Ethyl 3-chloro-2-fluorocarbanilate (CAS 2317-75-1), with molecular formula C9H9ClFNO2 and molecular weight 217.03 g/mol. IUPAC: ethyl N-(3-chloro-2-fluorophenyl)carbamate.
Chemical Property Profile of Ethyl 3-chloro-2-fluorocarbanilate
Property Insights of Ethyl 3-chloro-2-fluorocarbanilate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-chloro-2-fluorocarbanilate. With a topological polar surface area (TPSA) of 38.3 Ų, Ethyl 3-chloro-2-fluorocarbanilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-chloro-2-fluorocarbanilate has 1 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 3-chloro-2-fluorocarbanilate?
The CAS number of Ethyl 3-chloro-2-fluorocarbanilate is 2317-75-1.
What is the molecular formula of Ethyl 3-chloro-2-fluorocarbanilate?
The molecular formula of Ethyl 3-chloro-2-fluorocarbanilate is C9H9ClFNO2.
What is the molecular weight of Ethyl 3-chloro-2-fluorocarbanilate?
The molecular weight of Ethyl 3-chloro-2-fluorocarbanilate is 217.03 g/mol.
Where can I buy Ethyl 3-chloro-2-fluorocarbanilate?
You can request a quote for Ethyl 3-chloro-2-fluorocarbanilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-chloro-2-fluorocarbanilate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-chloro-2-fluorocarbanilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.