4,5-Dihydroxyphthalic acid
TL;DR: 4,5-Dihydroxyphthalic acid (CAS 63958-66-7) is a chemical compound with molecular formula C8H6O6 and molecular weight 198.01643 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,5-dihydroxyphthalic acid
Also Known As: 4,5-DIHYDROXYPHTHALIC ACID, 4,5-Dhpa, Normetahemipinic acid, 4,5-dihydroxybenzene-1,2-dicarboxylic acid, 4,5-Dihydroxyphthalate
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H6O6 |
| Molecular Weight | 198.01643 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.01643 Da |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
| SMILES | C1=C(C(=CC(=C1O)O)C(=O)O)C(=O)O |
| InChIKey | YZBCICVNBHNLTK-UHFFFAOYSA-N |
Chemical Property Profile of 4,5-Dihydroxyphthalic acid
Property Insights of 4,5-Dihydroxyphthalic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dihydroxyphthalic acid. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dihydroxyphthalic acid. Following Lipinski's Rule of Five, 4,5-Dihydroxyphthalic acid has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4,5-Dihydroxyphthalic acid?
The CAS number of 4,5-Dihydroxyphthalic acid is 63958-66-7.
What is the molecular formula of 4,5-Dihydroxyphthalic acid?
The molecular formula of 4,5-Dihydroxyphthalic acid is C8H6O6.
What is the molecular weight of 4,5-Dihydroxyphthalic acid?
The molecular weight of 4,5-Dihydroxyphthalic acid is 198.01643 g/mol.
Where can I buy 4,5-Dihydroxyphthalic acid?
You can request a quote for 4,5-Dihydroxyphthalic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,5-Dihydroxyphthalic acid?
Yes, CoreyChem provides custom synthesis services for 4,5-Dihydroxyphthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.