4-fluorophenyl 6-methoxy-2-oxo-2H-chromene-3-carboxylate
TL;DR: 4-fluorophenyl 6-methoxy-2-oxo-2H-chromene-3-carboxylate (CAS 825599-80-2) is a chemical compound with molecular formula C17H11FO5 and molecular weight 314.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-fluorophenyl) 6-methoxy-2-oxochromene-3-carboxylate
Also Known As: 4-fluorophenyl 6-methoxy-2-oxo-2H-chromene-3-carboxylate, p-fluorophenyl 6-methoxy-3-coumarincarboxylate, VU0610333-1, 4-fluorophenyl 6-methoxy-2-oxochromene-3-carboxylate, F3318-0160
| Molecular Formula | C17H11FO5 |
|---|---|
| Molecular Weight | 314.06 g/mol |
| LogP | 3.1599 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.05905 |
| Heavy Atoms | 23 |
| Complexity | 927.86176 |
Chemical Identifiers
| CAS Number | 825599-80-2 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)OC3=CC=C(C=C3)F |
Product Overview
4-fluorophenyl 6-methoxy-2-oxo-2H-chromene-3-carboxylate (CAS 825599-80-2), with molecular formula C17H11FO5 and molecular weight 314.06 g/mol. IUPAC: (4-fluorophenyl) 6-methoxy-2-oxochromene-3-carboxylate.
Chemical Property Profile of 4-fluorophenyl 6-methoxy-2-oxo-2H-chromene-3-carboxylate
Property Insights of 4-fluorophenyl 6-methoxy-2-oxo-2H-chromene-3-carboxylate
The XLogP value of 3.1599 indicates that 4-fluorophenyl 6-methoxy-2-oxo-2H-chromene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-fluorophenyl 6-methoxy-2-oxo-2H-chromene-3-carboxylate. Following Lipinski's Rule of Five, 4-fluorophenyl 6-methoxy-2-oxo-2H-chromene-3-carboxylate has 0 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 4-fluorophenyl 6-methoxy-2-oxo-2H-chromene-3-carboxylate?
The CAS number of 4-fluorophenyl 6-methoxy-2-oxo-2H-chromene-3-carboxylate is 825599-80-2.
What is the molecular formula of 4-fluorophenyl 6-methoxy-2-oxo-2H-chromene-3-carboxylate?
The molecular formula of 4-fluorophenyl 6-methoxy-2-oxo-2H-chromene-3-carboxylate is C17H11FO5.
What is the molecular weight of 4-fluorophenyl 6-methoxy-2-oxo-2H-chromene-3-carboxylate?
The molecular weight of 4-fluorophenyl 6-methoxy-2-oxo-2H-chromene-3-carboxylate is 314.06 g/mol.
Where can I buy 4-fluorophenyl 6-methoxy-2-oxo-2H-chromene-3-carboxylate?
You can request a quote for 4-fluorophenyl 6-methoxy-2-oxo-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 4-fluorophenyl 6-methoxy-2-oxo-2H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-fluorophenyl 6-methoxy-2-oxo-2H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.