5-(4-Fluorophenyl)-2-methyl-3-furoic acid
TL;DR: 5-(4-Fluorophenyl)-2-methyl-3-furoic acid (CAS 111787-88-3) is a chemical compound with molecular formula C12H9FO3 and molecular weight 220.05357 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-fluorophenyl)-2-methylfuran-3-carboxylic acid
Also Known As: 5-(4-FLUOROPHENYL)-2-METHYL-3-FUROIC ACID, 5-(4-fluorophenyl)-2-methylfuran-3-carboxylic acid, 5-(4-Fluoro-phenyl)-2-methyl-furan-3-carboxylic acid, 3-Furancarboxylicacid, 5-(4-fluorophenyl)-2-methyl-, 5-(4-fluorophenyl)-2-methyl-furan-3-carboxylic Acid
Technical Specifications
| Molecular Formula | C12H9FO3 |
| Molecular Weight | 220.05357 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.05357 Da |
| Heavy Atoms | 16 |
| Complexity | 261.0 |
| SMILES | CC1=C(C=C(O1)C2=CC=C(C=C2)F)C(=O)O |
| InChIKey | NGJWATPYRGMGHI-UHFFFAOYSA-N |
Chemical Property Profile of 5-(4-Fluorophenyl)-2-methyl-3-furoic acid
Property Insights of 5-(4-Fluorophenyl)-2-methyl-3-furoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Fluorophenyl)-2-methyl-3-furoic acid. With a topological polar surface area (TPSA) of 50.4 Ų, 5-(4-Fluorophenyl)-2-methyl-3-furoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Fluorophenyl)-2-methyl-3-furoic acid 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
What is the CAS number of 5-(4-Fluorophenyl)-2-methyl-3-furoic acid?
The CAS number of 5-(4-Fluorophenyl)-2-methyl-3-furoic acid is 111787-88-3.
What is the molecular formula of 5-(4-Fluorophenyl)-2-methyl-3-furoic acid?
The molecular formula of 5-(4-Fluorophenyl)-2-methyl-3-furoic acid is C12H9FO3.
What is the molecular weight of 5-(4-Fluorophenyl)-2-methyl-3-furoic acid?
The molecular weight of 5-(4-Fluorophenyl)-2-methyl-3-furoic acid is 220.05357 g/mol.
Where can I buy 5-(4-Fluorophenyl)-2-methyl-3-furoic acid?
You can request a quote for 5-(4-Fluorophenyl)-2-methyl-3-furoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(4-Fluorophenyl)-2-methyl-3-furoic acid?
Yes, CoreyChem provides custom synthesis services for 5-(4-Fluorophenyl)-2-methyl-3-furoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.