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Ethyl 4-{[(2-chloro-4-fluorophenoxy)carbonyl]amino}benzoate
TL;DR: Ethyl 4-{[(2-chloro-4-fluorophenoxy)carbonyl]amino}benzoate (CAS 6672-13-5) is a chemical compound with molecular formula C16H13ClFNO4 and molecular weight 337.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(2-chloro-4-fluorophenoxy)carbonylamino]benzoate
Also Known As: Ethyl 4-{[(2-chloro-4-fluorophenoxy)carbonyl]amino}benzoate, Ethyl 4-[(2-chloro-4-fluoro-phenoxy)carbonylamino]benzoate, ethyl 4-[(2-chloro-4-fluorophenoxy)carbonylamino]benzoate
| Molecular Formula | C16H13ClFNO4 |
|---|---|
| Molecular Weight | 337.05 g/mol |
| LogP | 4.2667 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.05173 |
| Heavy Atoms | 23 |
| Complexity | 718.5202 |
Chemical Identifiers
| CAS Number | 6672-13-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)OC2=C(C=C(C=C2)F)Cl |
Product Overview
Ethyl 4-{[(2-chloro-4-fluorophenoxy)carbonyl]amino}benzoate (CAS 6672-13-5), with molecular formula C16H13ClFNO4 and molecular weight 337.05 g/mol. IUPAC: ethyl 4-[(2-chloro-4-fluorophenoxy)carbonylamino]benzoate.
Chemical Property Profile of Ethyl 4-{[(2-chloro-4-fluorophenoxy)carbonyl]amino}benzoate
Property Insights of Ethyl 4-{[(2-chloro-4-fluorophenoxy)carbonyl]amino}benzoate
The XLogP value of 4.2667 indicates that Ethyl 4-{[(2-chloro-4-fluorophenoxy)carbonyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{[(2-chloro-4-fluorophenoxy)carbonyl]amino}benzoate. Following Lipinski's Rule of Five, Ethyl 4-{[(2-chloro-4-fluorophenoxy)carbonyl]amino}benzoate 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 4-{[(2-chloro-4-fluorophenoxy)carbonyl]amino}benzoate?
The CAS number of Ethyl 4-{[(2-chloro-4-fluorophenoxy)carbonyl]amino}benzoate is 6672-13-5.
What is the molecular formula of Ethyl 4-{[(2-chloro-4-fluorophenoxy)carbonyl]amino}benzoate?
The molecular formula of Ethyl 4-{[(2-chloro-4-fluorophenoxy)carbonyl]amino}benzoate is C16H13ClFNO4.
What is the molecular weight of Ethyl 4-{[(2-chloro-4-fluorophenoxy)carbonyl]amino}benzoate?
The molecular weight of Ethyl 4-{[(2-chloro-4-fluorophenoxy)carbonyl]amino}benzoate is 337.05 g/mol.
Where can I buy Ethyl 4-{[(2-chloro-4-fluorophenoxy)carbonyl]amino}benzoate?
You can request a quote for Ethyl 4-{[(2-chloro-4-fluorophenoxy)carbonyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-{[(2-chloro-4-fluorophenoxy)carbonyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[(2-chloro-4-fluorophenoxy)carbonyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.