1-Phenylpyrrole-3,4-dicarboxylic acid
TL;DR: 1-Phenylpyrrole-3,4-dicarboxylic acid (CAS 78945-63-8) is a chemical compound with molecular formula C12H9NO4 and molecular weight 231.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylpyrrole-3,4-dicarboxylic acid
Also Known As: 1-fenilpirrolo-3,4-dicarbossilico, 1-phenylpyrrole-3,4-dicarboxylic Acid, 1-phenyl-1h-pyrrole-3,4-dicarboxylic acid
| Molecular Formula | C12H9NO4 |
|---|---|
| Molecular Weight | 231.05 g/mol |
| LogP | 1.8737 |
| Topological Polar Surface Area | 79.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.05316 |
| Heavy Atoms | 17 |
| Complexity | 539.9465 |
Chemical Identifiers
| CAS Number | 78945-63-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=C(C(=C2)C(=O)O)C(=O)O |
Product Overview
1-Phenylpyrrole-3,4-dicarboxylic acid (CAS 78945-63-8), with molecular formula C12H9NO4 and molecular weight 231.05 g/mol. IUPAC: 1-phenylpyrrole-3,4-dicarboxylic acid.
Chemical Property Profile of 1-Phenylpyrrole-3,4-dicarboxylic acid
Property Insights of 1-Phenylpyrrole-3,4-dicarboxylic acid
The XLogP value of 1.8737 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenylpyrrole-3,4-dicarboxylic acid. The TPSA of 79.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenylpyrrole-3,4-dicarboxylic acid. Following Lipinski's Rule of Five, 1-Phenylpyrrole-3,4-dicarboxylic acid has 2 hydrogen bond donor(s) and 2 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 1-Phenylpyrrole-3,4-dicarboxylic acid?
The CAS number of 1-Phenylpyrrole-3,4-dicarboxylic acid is 78945-63-8.
What is the molecular formula of 1-Phenylpyrrole-3,4-dicarboxylic acid?
The molecular formula of 1-Phenylpyrrole-3,4-dicarboxylic acid is C12H9NO4.
What is the molecular weight of 1-Phenylpyrrole-3,4-dicarboxylic acid?
The molecular weight of 1-Phenylpyrrole-3,4-dicarboxylic acid is 231.05 g/mol.
Where can I buy 1-Phenylpyrrole-3,4-dicarboxylic acid?
You can request a quote for 1-Phenylpyrrole-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 1-Phenylpyrrole-3,4-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenylpyrrole-3,4-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.