5-Iodoisophthalic acid
TL;DR: 5-Iodoisophthalic acid (CAS 51839-16-8) is a chemical compound with molecular formula C8H5IO4 and molecular weight 291.92325 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-iodobenzene-1,3-dicarboxylic acid
Also Known As: 5-Iodoisophthalic acid, 5-iodobenzene-1,3-dicarboxylic acid, 5-iodo-isophthalic acid, 5-Iodo-1,3-benzenedicarboxylic acid, QMDFYAWUWIIQFM-UHFFFAOYSA
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H5IO4 |
| Molecular Weight | 291.92325 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.92325 Da |
| Heavy Atoms | 13 |
| Complexity | 206.0 |
| SMILES | C1=C(C=C(C=C1C(=O)O)I)C(=O)O |
| InChIKey | QMDFYAWUWIIQFM-UHFFFAOYSA-N |
Chemical Property Profile of 5-Iodoisophthalic acid
Property Insights of 5-Iodoisophthalic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Iodoisophthalic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Iodoisophthalic acid. Following Lipinski's Rule of Five, 5-Iodoisophthalic 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 5-Iodoisophthalic acid?
The CAS number of 5-Iodoisophthalic acid is 51839-16-8.
What is the molecular formula of 5-Iodoisophthalic acid?
The molecular formula of 5-Iodoisophthalic acid is C8H5IO4.
What is the molecular weight of 5-Iodoisophthalic acid?
The molecular weight of 5-Iodoisophthalic acid is 291.92325 g/mol.
Where can I buy 5-Iodoisophthalic acid?
You can request a quote for 5-Iodoisophthalic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Iodoisophthalic acid?
Yes, CoreyChem provides custom synthesis services for 5-Iodoisophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.