4,4'-Oxydiphthalic acid
TL;DR: 4,4'-Oxydiphthalic acid (CAS 7717-76-2) is a chemical compound with molecular formula C16H10O9 and molecular weight 346.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dicarboxyphenoxy)phthalic acid
Also Known As: 4,4'-oxydiphthalic acid, 4-(3,4-dicarboxyphenoxy)phthalic acid, 1,2-Benzenedicarboxylic acid, 4,4'-oxybis-, 4,4 -Oxydiphthalic acid, 4,4 -Oxybisphthalic acid
| Molecular Formula | C16H10O9 |
|---|---|
| Molecular Weight | 346.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.03247 |
| Heavy Atoms | 25 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 7717-76-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1OC2=CC(=C(C=C2)C(=O)O)C(=O)O)C(=O)O)C(=O)O |
| InChIKey | AIVVXPSKEVWKMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-Oxydiphthalic acid (CAS 7717-76-2), with molecular formula C16H10O9 and molecular weight 346.03 g/mol. IUPAC: 4-(3,4-dicarboxyphenoxy)phthalic acid.
Chemical Property Profile of 4,4'-Oxydiphthalic acid
Property Insights of 4,4'-Oxydiphthalic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-Oxydiphthalic acid. The TPSA of 158.0 Ų indicates high polarity, suggesting 4,4'-Oxydiphthalic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,4'-Oxydiphthalic acid has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,4'-Oxydiphthalic acid?
The CAS number of 4,4'-Oxydiphthalic acid is 7717-76-2.
What is the molecular formula of 4,4'-Oxydiphthalic acid?
The molecular formula of 4,4'-Oxydiphthalic acid is C16H10O9.
What is the molecular weight of 4,4'-Oxydiphthalic acid?
The molecular weight of 4,4'-Oxydiphthalic acid is 346.03 g/mol.
Where can I buy 4,4'-Oxydiphthalic acid?
You can request a quote for 4,4'-Oxydiphthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Oxydiphthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Oxydiphthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.