Pyrrole-3,4-dicarboxylic acid
TL;DR: Pyrrole-3,4-dicarboxylic acid (CAS 935-72-8) is a chemical compound with molecular formula C6H5NO4 and molecular weight 155.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-pyrrole-3,4-dicarboxylic acid
Also Known As: 1H-Pyrrole-3,4-dicarboxylic acid, pyrrole-3,4-dicarboxylic acid, 1H-Pyrrole-3,4-dicarboxylicacid, pyrrol-3,4-di-carboxylic acid, NCI60_007737
| Molecular Formula | C6H5NO4 |
|---|---|
| Molecular Weight | 155.02 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 90.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 155.02185 |
| Heavy Atoms | 11 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 935-72-8 |
|---|---|
| SMILES | C1=C(C(=CN1)C(=O)O)C(=O)O |
| InChIKey | JFVDNCRMBALUKH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrrole-3,4-dicarboxylic acid (CAS 935-72-8), with molecular formula C6H5NO4 and molecular weight 155.02 g/mol. IUPAC: 1H-pyrrole-3,4-dicarboxylic acid.
Chemical Property Profile of Pyrrole-3,4-dicarboxylic acid
Property Insights of Pyrrole-3,4-dicarboxylic acid
The XLogP value of -0.2 indicates that Pyrrole-3,4-dicarboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrole-3,4-dicarboxylic acid. Following Lipinski's Rule of Five, Pyrrole-3,4-dicarboxylic acid has 3 hydrogen bond donor(s) and 4 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 Pyrrole-3,4-dicarboxylic acid?
The CAS number of Pyrrole-3,4-dicarboxylic acid is 935-72-8.
What is the molecular formula of Pyrrole-3,4-dicarboxylic acid?
The molecular formula of Pyrrole-3,4-dicarboxylic acid is C6H5NO4.
What is the molecular weight of Pyrrole-3,4-dicarboxylic acid?
The molecular weight of Pyrrole-3,4-dicarboxylic acid is 155.02 g/mol.
Where can I buy Pyrrole-3,4-dicarboxylic acid?
You can request a quote for Pyrrole-3,4-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrole-3,4-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Pyrrole-3,4-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.