4-Methoxyisophthalic acid
TL;DR: 4-Methoxyisophthalic acid (CAS 2206-43-1) is a chemical compound with molecular formula C9H8O5 and molecular weight 196.03717 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methoxybenzene-1,3-dicarboxylic acid
Also Known As: 4-Methoxyisophthalic acid, 4-methoxybenzene-1,3-dicarboxylic acid, p-methoxysophthalicacid, 4-Methoxyisophthalicacid, 4-methoxy sophthalic acid
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H8O5 |
| Molecular Weight | 196.03717 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.03717 Da |
| Heavy Atoms | 14 |
| Complexity | 237.0 |
| SMILES | COC1=C(C=C(C=C1)C(=O)O)C(=O)O |
| InChIKey | JIICYHFLIOGGHE-UHFFFAOYSA-N |
Chemical Property Profile of 4-Methoxyisophthalic acid
Property Insights of 4-Methoxyisophthalic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxyisophthalic acid. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methoxyisophthalic acid. Following Lipinski's Rule of Five, 4-Methoxyisophthalic acid has 2 hydrogen bond donor(s) and 5 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-Methoxyisophthalic acid?
The CAS number of 4-Methoxyisophthalic acid is 2206-43-1.
What is the molecular formula of 4-Methoxyisophthalic acid?
The molecular formula of 4-Methoxyisophthalic acid is C9H8O5.
What is the molecular weight of 4-Methoxyisophthalic acid?
The molecular weight of 4-Methoxyisophthalic acid is 196.03717 g/mol.
Where can I buy 4-Methoxyisophthalic acid?
You can request a quote for 4-Methoxyisophthalic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methoxyisophthalic acid?
Yes, CoreyChem provides custom synthesis services for 4-Methoxyisophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.