2-((4-Fluorophenyl)amino)-2-oxoethyl 2H-chromene-3-carboxylate
TL;DR: 2-((4-Fluorophenyl)amino)-2-oxoethyl 2H-chromene-3-carboxylate (CAS 869871-52-3) is a chemical compound with molecular formula C18H14FNO4 and molecular weight 327.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-fluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
Also Known As: 2-((4-Fluorophenyl)amino)-2-oxoethyl 2H-chromene-3-carboxylate, [2-(4-fluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
| Molecular Formula | C18H14FNO4 |
|---|---|
| Molecular Weight | 327.09 g/mol |
| LogP | 2.7834 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.0907 |
| Heavy Atoms | 24 |
| Complexity | 798.92096 |
Chemical Identifiers
| CAS Number | 869871-52-3 |
|---|---|
| SMILES | C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)NC3=CC=C(C=C3)F |
Product Overview
2-((4-Fluorophenyl)amino)-2-oxoethyl 2H-chromene-3-carboxylate (CAS 869871-52-3), with molecular formula C18H14FNO4 and molecular weight 327.09 g/mol. IUPAC: [2-(4-fluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate.
Chemical Property Profile of 2-((4-Fluorophenyl)amino)-2-oxoethyl 2H-chromene-3-carboxylate
Property Insights of 2-((4-Fluorophenyl)amino)-2-oxoethyl 2H-chromene-3-carboxylate
The XLogP value of 2.7834 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-Fluorophenyl)amino)-2-oxoethyl 2H-chromene-3-carboxylate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Fluorophenyl)amino)-2-oxoethyl 2H-chromene-3-carboxylate. Following Lipinski's Rule of Five, 2-((4-Fluorophenyl)amino)-2-oxoethyl 2H-chromene-3-carboxylate 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 2-((4-Fluorophenyl)amino)-2-oxoethyl 2H-chromene-3-carboxylate?
The CAS number of 2-((4-Fluorophenyl)amino)-2-oxoethyl 2H-chromene-3-carboxylate is 869871-52-3.
What is the molecular formula of 2-((4-Fluorophenyl)amino)-2-oxoethyl 2H-chromene-3-carboxylate?
The molecular formula of 2-((4-Fluorophenyl)amino)-2-oxoethyl 2H-chromene-3-carboxylate is C18H14FNO4.
What is the molecular weight of 2-((4-Fluorophenyl)amino)-2-oxoethyl 2H-chromene-3-carboxylate?
The molecular weight of 2-((4-Fluorophenyl)amino)-2-oxoethyl 2H-chromene-3-carboxylate is 327.09 g/mol.
Where can I buy 2-((4-Fluorophenyl)amino)-2-oxoethyl 2H-chromene-3-carboxylate?
You can request a quote for 2-((4-Fluorophenyl)amino)-2-oxoethyl 2H-chromene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Fluorophenyl)amino)-2-oxoethyl 2H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Fluorophenyl)amino)-2-oxoethyl 2H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.