4-(2-carboxybenzoyl)phthalic acid
TL;DR: 4-(2-carboxybenzoyl)phthalic acid (CAS 81703-06-2) is a chemical compound with molecular formula C16H10O7 and molecular weight 314.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-carboxybenzoyl)phthalic acid
Also Known As: 4-(2-carboxybenzoyl)phthalic acid, Compound 28620, NCIStruc1_001017, NCIStruc2_001156, 18-Beta-hydroxy-3-epi-alpha-yohimbine
| Molecular Formula | C16H10O7 |
|---|---|
| Molecular Weight | 314.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.04266 |
| Heavy Atoms | 23 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 81703-06-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O)C(=O)O |
| InChIKey | HVFUYBNYHCZLSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2-carboxybenzoyl)phthalic acid (CAS 81703-06-2), with molecular formula C16H10O7 and molecular weight 314.04 g/mol. IUPAC: 4-(2-carboxybenzoyl)phthalic acid.
Chemical Property Profile of 4-(2-carboxybenzoyl)phthalic acid
Property Insights of 4-(2-carboxybenzoyl)phthalic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-carboxybenzoyl)phthalic acid. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-carboxybenzoyl)phthalic acid. Following Lipinski's Rule of Five, 4-(2-carboxybenzoyl)phthalic acid has 3 hydrogen bond donor(s) and 7 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-(2-carboxybenzoyl)phthalic acid?
The CAS number of 4-(2-carboxybenzoyl)phthalic acid is 81703-06-2.
What is the molecular formula of 4-(2-carboxybenzoyl)phthalic acid?
The molecular formula of 4-(2-carboxybenzoyl)phthalic acid is C16H10O7.
What is the molecular weight of 4-(2-carboxybenzoyl)phthalic acid?
The molecular weight of 4-(2-carboxybenzoyl)phthalic acid is 314.04 g/mol.
Where can I buy 4-(2-carboxybenzoyl)phthalic acid?
You can request a quote for 4-(2-carboxybenzoyl)phthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-carboxybenzoyl)phthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-carboxybenzoyl)phthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.