2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)ethyl 4-fluorobenzoate
TL;DR: 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)ethyl 4-fluorobenzoate (CAS 867136-14-9) is a chemical compound with molecular formula C19H13ClFNO4 and molecular weight 373.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]ethyl 4-fluorobenzoate
Also Known As: F1663-0019, 2-((3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)ethyl 4-fluorobenzoate, 2-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]ethyl 4-fluorobenzoate, 2-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]ethyl 4-fluorobenzoate, 2-[(3-chloro-1,4-dioxo-naphthalen-2-yl)amino]ethyl 4-fluorobenzoate
| Molecular Formula | C19H13ClFNO4 |
|---|---|
| Molecular Weight | 373.05 g/mol |
| LogP | 3.1017 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.05173 |
| Heavy Atoms | 26 |
| Complexity | 921.3913 |
Chemical Identifiers
| CAS Number | 867136-14-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NCCOC(=O)C3=CC=C(C=C3)F |
Product Overview
2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)ethyl 4-fluorobenzoate (CAS 867136-14-9), with molecular formula C19H13ClFNO4 and molecular weight 373.05 g/mol. IUPAC: 2-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]ethyl 4-fluorobenzoate.
Chemical Property Profile of 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)ethyl 4-fluorobenzoate
Property Insights of 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)ethyl 4-fluorobenzoate
The XLogP value of 3.1017 indicates that 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)ethyl 4-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)ethyl 4-fluorobenzoate. Following Lipinski's Rule of Five, 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)ethyl 4-fluorobenzoate has 1 hydrogen bond donor(s) and 5 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 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)ethyl 4-fluorobenzoate?
The CAS number of 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)ethyl 4-fluorobenzoate is 867136-14-9.
What is the molecular formula of 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)ethyl 4-fluorobenzoate?
The molecular formula of 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)ethyl 4-fluorobenzoate is C19H13ClFNO4.
What is the molecular weight of 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)ethyl 4-fluorobenzoate?
The molecular weight of 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)ethyl 4-fluorobenzoate is 373.05 g/mol.
Where can I buy 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)ethyl 4-fluorobenzoate?
You can request a quote for 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)ethyl 4-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)ethyl 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)ethyl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.