Pyrrole-2,3,5-tricarboxylic acid
TL;DR: Pyrrole-2,3,5-tricarboxylic acid (CAS 945-32-4) is a chemical compound with molecular formula C7H5NO6 and molecular weight 199.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-pyrrole-2,3,5-tricarboxylic acid
Also Known As: Pyrrole-2,3,5-tricarboxylic acid, 1H-Pyrrole-2,3,5-tricarboxylic acid, PTCA, 2,3,5-Ptca, 1H-Pyrrole-2,3,5-tricarboxylicacid
| Molecular Formula | C7H5NO6 |
|---|---|
| Molecular Weight | 199.01 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.01169 |
| Heavy Atoms | 14 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 945-32-4 |
|---|---|
| SMILES | C1=C(NC(=C1C(=O)O)C(=O)O)C(=O)O |
| InChIKey | UGSAVTSXHXRENH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrrole-2,3,5-tricarboxylic acid (CAS 945-32-4), with molecular formula C7H5NO6 and molecular weight 199.01 g/mol. IUPAC: 1H-pyrrole-2,3,5-tricarboxylic acid.
Chemical Property Profile of Pyrrole-2,3,5-tricarboxylic acid
Property Insights of Pyrrole-2,3,5-tricarboxylic acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrole-2,3,5-tricarboxylic acid. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrole-2,3,5-tricarboxylic acid. Following Lipinski's Rule of Five, Pyrrole-2,3,5-tricarboxylic acid has 4 hydrogen bond donor(s) and 6 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-2,3,5-tricarboxylic acid?
The CAS number of Pyrrole-2,3,5-tricarboxylic acid is 945-32-4.
What is the molecular formula of Pyrrole-2,3,5-tricarboxylic acid?
The molecular formula of Pyrrole-2,3,5-tricarboxylic acid is C7H5NO6.
What is the molecular weight of Pyrrole-2,3,5-tricarboxylic acid?
The molecular weight of Pyrrole-2,3,5-tricarboxylic acid is 199.01 g/mol.
Where can I buy Pyrrole-2,3,5-tricarboxylic acid?
You can request a quote for Pyrrole-2,3,5-tricarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrole-2,3,5-tricarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Pyrrole-2,3,5-tricarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.