2-Methyl-5-(4-methylphenyl)-3-furoic acid
TL;DR: 2-Methyl-5-(4-methylphenyl)-3-furoic acid (CAS 111787-86-1) 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-methyl-5-(4-methylphenyl)furan-3-carboxylic acid
Also Known As: 2-methyl-5-(4-methylphenyl)-3-furoic acid, 2-methyl-5-(4-methylphenyl)furan-3-carboxylic Acid, 3-Furancarboxylic acid,2-methyl-5-(4-methylphenyl)-, 2-METHYL-5-(P-TOLYL)FURAN-3-CARBOXYLIC ACID, 3-Furancarboxylic acid,2-methyl-5-(4-methylphenyl)
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 | 256.0 |
| SMILES | CC1=CC=C(C=C1)C2=CC(=C(O2)C)C(=O)O |
| InChIKey | WWJLHTFFOPYRMV-UHFFFAOYSA-N |
Chemical Property Profile of 2-Methyl-5-(4-methylphenyl)-3-furoic acid
Property Insights of 2-Methyl-5-(4-methylphenyl)-3-furoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-5-(4-methylphenyl)-3-furoic acid. With a topological polar surface area (TPSA) of 50.4 Ų, 2-Methyl-5-(4-methylphenyl)-3-furoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-5-(4-methylphenyl)-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-Methyl-5-(4-methylphenyl)-3-furoic acid?
The CAS number of 2-Methyl-5-(4-methylphenyl)-3-furoic acid is 111787-86-1.
What is the molecular formula of 2-Methyl-5-(4-methylphenyl)-3-furoic acid?
The molecular formula of 2-Methyl-5-(4-methylphenyl)-3-furoic acid is C13H12O3.
What is the molecular weight of 2-Methyl-5-(4-methylphenyl)-3-furoic acid?
The molecular weight of 2-Methyl-5-(4-methylphenyl)-3-furoic acid is 216.07864 g/mol.
Where can I buy 2-Methyl-5-(4-methylphenyl)-3-furoic acid?
You can request a quote for 2-Methyl-5-(4-methylphenyl)-3-furoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methyl-5-(4-methylphenyl)-3-furoic acid?
Yes, CoreyChem provides custom synthesis services for 2-Methyl-5-(4-methylphenyl)-3-furoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.