3,5-Difluorophenylacetic acid
TL;DR: 3,5-Difluorophenylacetic acid (CAS 105184-38-1) is a chemical compound with molecular formula C10H9ClO4S and molecular weight 259.991 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-chloro-2-methylsulfonylphenyl)prop-2-enoic acid
Also Known As: 3,5-Difluorophenylacetic acid, 3-(4-chloro-2-methylsulfonylphenyl)prop-2-enoic acid, 3-(4-chloro-2-methylsulfonyl-phenyl)prop-2-enoic Acid, (2e)-3-[4-chloro-2-(methylsulfonyl)phenyl]-acrylic acid, (e)-3-(4-chloro-2-(methylsulfonyl)phenyl)acrylic acid
Technical Specifications
| Molecular Formula | C10H9ClO4S |
| Molecular Weight | 259.991 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.991 Da |
| Heavy Atoms | 16 |
| Complexity | 382.0 |
| SMILES | CS(=O)(=O)C1=C(C=CC(=C1)Cl)C=CC(=O)O |
| InChIKey | MIPMROMSCSKIEH-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Difluorophenylacetic acid
Property Insights of 3,5-Difluorophenylacetic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Difluorophenylacetic acid. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Difluorophenylacetic acid. Following Lipinski's Rule of Five, 3,5-Difluorophenylacetic 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 3,5-Difluorophenylacetic acid?
The CAS number of 3,5-Difluorophenylacetic acid is 105184-38-1.
What is the molecular formula of 3,5-Difluorophenylacetic acid?
The molecular formula of 3,5-Difluorophenylacetic acid is C10H9ClO4S.
What is the molecular weight of 3,5-Difluorophenylacetic acid?
The molecular weight of 3,5-Difluorophenylacetic acid is 259.991 g/mol.
Where can I buy 3,5-Difluorophenylacetic acid?
You can request a quote for 3,5-Difluorophenylacetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Difluorophenylacetic acid?
Yes, CoreyChem provides custom synthesis services for 3,5-Difluorophenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.