2,5-Dimethyl-4-phenyl-3-furoic acid
TL;DR: 2,5-Dimethyl-4-phenyl-3-furoic acid (CAS 104794-30-1) is a chemical compound with molecular formula C13H12O3 and molecular weight 216.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-dimethyl-4-phenylfuran-3-carboxylic acid
Also Known As: 2,5-dimethyl-4-phenyl-3-furoic acid, 2,5-dimethyl-4-phenylfuran-3-carboxylic acid, 3-Furancarboxylic acid, 2,5-dimethyl-4-phenyl-, 2,5-dimethyl-4-phenyl-furan-3-carboxylic Acid, 2,5-dimethyl-4-phenylfuran-3-carboxylicacid
Technical Specifications
| Molecular Formula | C13H12O3 |
| Molecular Weight | 216.07864 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.07864 Da |
| Heavy Atoms | 16 |
| Complexity | 258.0 |
| SMILES | CC1=C(C(=C(O1)C)C(=O)O)C2=CC=CC=C2 |
| InChIKey | XLJWWXHFTNCUBH-UHFFFAOYSA-N |
Chemical Property Profile of 2,5-Dimethyl-4-phenyl-3-furoic acid
Property Insights of 2,5-Dimethyl-4-phenyl-3-furoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dimethyl-4-phenyl-3-furoic acid. With a topological polar surface area (TPSA) of 50.4 Ų, 2,5-Dimethyl-4-phenyl-3-furoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dimethyl-4-phenyl-3-furoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,5-Dimethyl-4-phenyl-3-furoic acid?
The CAS number of 2,5-Dimethyl-4-phenyl-3-furoic acid is 104794-30-1.
What is the molecular formula of 2,5-Dimethyl-4-phenyl-3-furoic acid?
The molecular formula of 2,5-Dimethyl-4-phenyl-3-furoic acid is C13H12O3.
What is the molecular weight of 2,5-Dimethyl-4-phenyl-3-furoic acid?
The molecular weight of 2,5-Dimethyl-4-phenyl-3-furoic acid is 216.07864 g/mol.
Where can I buy 2,5-Dimethyl-4-phenyl-3-furoic acid?
You can request a quote for 2,5-Dimethyl-4-phenyl-3-furoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,5-Dimethyl-4-phenyl-3-furoic acid?
Yes, CoreyChem provides custom synthesis services for 2,5-Dimethyl-4-phenyl-3-furoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.