4-methyl-2-oxo-2H-chromen-7-yl 2-fluorobenzoate
TL;DR: 4-methyl-2-oxo-2H-chromen-7-yl 2-fluorobenzoate (CAS 497057-51-9) is a chemical compound with molecular formula C17H11FO4 and molecular weight 298.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-2-oxochromen-7-yl) 2-fluorobenzoate
Also Known As: 4-methyl-2-oxo-2H-chromen-7-yl 2-fluorobenzoate, (4-methyl-2-oxochromen-7-yl) 2-fluorobenzoate, AO-548/40912135
| Molecular Formula | C17H11FO4 |
|---|---|
| Molecular Weight | 298.06 g/mol |
| LogP | 3.45972 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.06415 |
| Heavy Atoms | 22 |
| Complexity | 927.3354 |
Chemical Identifiers
| CAS Number | 497057-51-9 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC=CC=C3F |
Product Overview
4-methyl-2-oxo-2H-chromen-7-yl 2-fluorobenzoate (CAS 497057-51-9), with molecular formula C17H11FO4 and molecular weight 298.06 g/mol. IUPAC: (4-methyl-2-oxochromen-7-yl) 2-fluorobenzoate.
Chemical Property Profile of 4-methyl-2-oxo-2H-chromen-7-yl 2-fluorobenzoate
Property Insights of 4-methyl-2-oxo-2H-chromen-7-yl 2-fluorobenzoate
The XLogP value of 3.45972 indicates that 4-methyl-2-oxo-2H-chromen-7-yl 2-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, 4-methyl-2-oxo-2H-chromen-7-yl 2-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-2-oxo-2H-chromen-7-yl 2-fluorobenzoate has 0 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 4-methyl-2-oxo-2H-chromen-7-yl 2-fluorobenzoate?
The CAS number of 4-methyl-2-oxo-2H-chromen-7-yl 2-fluorobenzoate is 497057-51-9.
What is the molecular formula of 4-methyl-2-oxo-2H-chromen-7-yl 2-fluorobenzoate?
The molecular formula of 4-methyl-2-oxo-2H-chromen-7-yl 2-fluorobenzoate is C17H11FO4.
What is the molecular weight of 4-methyl-2-oxo-2H-chromen-7-yl 2-fluorobenzoate?
The molecular weight of 4-methyl-2-oxo-2H-chromen-7-yl 2-fluorobenzoate is 298.06 g/mol.
Where can I buy 4-methyl-2-oxo-2H-chromen-7-yl 2-fluorobenzoate?
You can request a quote for 4-methyl-2-oxo-2H-chromen-7-yl 2-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-2-oxo-2H-chromen-7-yl 2-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-2-oxo-2H-chromen-7-yl 2-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.