3,5-Dimethylphthalic acid
TL;DR: 3,5-Dimethylphthalic acid (CAS 102653-80-5) is a chemical compound with molecular formula C10H10O4 and molecular weight 194.0579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-dimethylphthalic acid
Also Known As: 3,5-dimethylphthalic acid
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H10O4 |
| Molecular Weight | 194.0579 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.0579 Da |
| Heavy Atoms | 14 |
| Complexity | 249.0 |
| SMILES | CC1=CC(=C(C(=C1)C(=O)O)C(=O)O)C |
| InChIKey | DNOMOGKMJPDXAT-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Dimethylphthalic acid
Property Insights of 3,5-Dimethylphthalic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethylphthalic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dimethylphthalic acid. Following Lipinski's Rule of Five, 3,5-Dimethylphthalic acid has 2 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-Dimethylphthalic acid?
The CAS number of 3,5-Dimethylphthalic acid is 102653-80-5.
What is the molecular formula of 3,5-Dimethylphthalic acid?
The molecular formula of 3,5-Dimethylphthalic acid is C10H10O4.
What is the molecular weight of 3,5-Dimethylphthalic acid?
The molecular weight of 3,5-Dimethylphthalic acid is 194.0579 g/mol.
Where can I buy 3,5-Dimethylphthalic acid?
You can request a quote for 3,5-Dimethylphthalic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Dimethylphthalic acid?
Yes, CoreyChem provides custom synthesis services for 3,5-Dimethylphthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.