Acetic acid, (5-(4-fluorophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester
TL;DR: Acetic acid, (5-(4-fluorophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester (CAS 139266-39-0) is a chemical compound with molecular formula C13H9FO4 and molecular weight 248.0485 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2E)-2-[5-(4-fluorophenyl)-3-oxofuran-2-ylidene]acetate
Also Known As: Methyl (5-(4-fluorophenyl)-3-oxo-2(3H)-furanylidene)acetate, Acetic acid, (5-(4-fluorophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester, 2-Methoxycarbonylmethylene-5-(4-fluorophenyl)furan-3(2H)-one, methyl (2E)-2-[5-(4-fluorophenyl)-3-oxofuran-2-ylidene]acetate, methyl 2-[5-(4-fluorophenyl)-3-oxo-2,3-dihydrofuran-2-ylidene]acetate
Technical Specifications
| Molecular Formula | C13H9FO4 |
| Molecular Weight | 248.0485 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.0485 Da |
| Heavy Atoms | 18 |
| Complexity | 417.0 |
| SMILES | COC(=O)/C=C/1\C(=O)C=C(O1)C2=CC=C(C=C2)F |
| InChIKey | LXADYEUJCYSOLI-KPKJPENVSA-N |
Chemical Property Profile of Acetic acid, (5-(4-fluorophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester
Property Insights of Acetic acid, (5-(4-fluorophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, (5-(4-fluorophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Acetic acid, (5-(4-fluorophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, (5-(4-fluorophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester 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
What is the CAS number of Acetic acid, (5-(4-fluorophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester?
The CAS number of Acetic acid, (5-(4-fluorophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester is 139266-39-0.
What is the molecular formula of Acetic acid, (5-(4-fluorophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester?
The molecular formula of Acetic acid, (5-(4-fluorophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester is C13H9FO4.
What is the molecular weight of Acetic acid, (5-(4-fluorophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester?
The molecular weight of Acetic acid, (5-(4-fluorophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester is 248.0485 g/mol.
Where can I buy Acetic acid, (5-(4-fluorophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester?
You can request a quote for Acetic acid, (5-(4-fluorophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, (5-(4-fluorophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid, (5-(4-fluorophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.