Pyrrole-2,3-dicarboxylic acid
TL;DR: Pyrrole-2,3-dicarboxylic acid (CAS 1125-32-2) 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-2,3-dicarboxylic acid
Also Known As: 1H-Pyrrole-2,3-dicarboxylic acid, Pyrrole-2,3-dicarboxylic acid, PDCA, 1H-Pyrrole-2,3-dicarboxylicacid, RefChem:177897
| Molecular Formula | C6H5NO4 |
|---|---|
| Molecular Weight | 155.02 g/mol |
| LogP | 0.1 |
| 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 | 191.0 |
Chemical Identifiers
| CAS Number | 1125-32-2 |
|---|---|
| SMILES | C1=CNC(=C1C(=O)O)C(=O)O |
| InChIKey | OEUSNWDYXDEXDR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrrole-2,3-dicarboxylic acid (CAS 1125-32-2), with molecular formula C6H5NO4 and molecular weight 155.02 g/mol. IUPAC: 1H-pyrrole-2,3-dicarboxylic acid.
Chemical Property Profile of Pyrrole-2,3-dicarboxylic acid
Property Insights of Pyrrole-2,3-dicarboxylic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrole-2,3-dicarboxylic acid. The TPSA of 90.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrole-2,3-dicarboxylic acid. Following Lipinski's Rule of Five, Pyrrole-2,3-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-2,3-dicarboxylic acid?
The CAS number of Pyrrole-2,3-dicarboxylic acid is 1125-32-2.
What is the molecular formula of Pyrrole-2,3-dicarboxylic acid?
The molecular formula of Pyrrole-2,3-dicarboxylic acid is C6H5NO4.
What is the molecular weight of Pyrrole-2,3-dicarboxylic acid?
The molecular weight of Pyrrole-2,3-dicarboxylic acid is 155.02 g/mol.
Where can I buy Pyrrole-2,3-dicarboxylic acid?
You can request a quote for Pyrrole-2,3-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-2,3-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Pyrrole-2,3-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.