1-(4-nitrophenyl)-1H-pyrrole-2-carboxylic acid
TL;DR: 1-(4-nitrophenyl)-1H-pyrrole-2-carboxylic acid (CAS 82552-86-1) is a chemical compound with molecular formula C11H8N2O4 and molecular weight 232.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)pyrrole-2-carboxylic acid
Also Known As: 1-(4-nitrophenyl)-1H-pyrrole-2-carboxylic acid, 1-(4-nitrophenyl)pyrrole-2-carboxylic acid, 1-(4-nitrophenyl)-1H-pyrrole-2-carboxylicacid
| Molecular Formula | C11H8N2O4 |
|---|---|
| Molecular Weight | 232.05 g/mol |
| LogP | 2.0837 |
| Topological Polar Surface Area | 85.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.0484 |
| Heavy Atoms | 17 |
| Complexity | 571.4123 |
Chemical Identifiers
| CAS Number | 82552-86-1 |
|---|---|
| SMILES | C1=CN(C(=C1)C(=O)O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
1-(4-nitrophenyl)-1H-pyrrole-2-carboxylic acid (CAS 82552-86-1), with molecular formula C11H8N2O4 and molecular weight 232.05 g/mol. IUPAC: 1-(4-nitrophenyl)pyrrole-2-carboxylic acid.
Chemical Property Profile of 1-(4-nitrophenyl)-1H-pyrrole-2-carboxylic acid
Property Insights of 1-(4-nitrophenyl)-1H-pyrrole-2-carboxylic acid
The XLogP value of 2.0837 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-nitrophenyl)-1H-pyrrole-2-carboxylic acid. The TPSA of 85.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-nitrophenyl)-1H-pyrrole-2-carboxylic acid. Following Lipinski's Rule of Five, 1-(4-nitrophenyl)-1H-pyrrole-2-carboxylic acid has 1 hydrogen bond donor(s) and 3 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-(4-nitrophenyl)-1H-pyrrole-2-carboxylic acid?
The CAS number of 1-(4-nitrophenyl)-1H-pyrrole-2-carboxylic acid is 82552-86-1.
What is the molecular formula of 1-(4-nitrophenyl)-1H-pyrrole-2-carboxylic acid?
The molecular formula of 1-(4-nitrophenyl)-1H-pyrrole-2-carboxylic acid is C11H8N2O4.
What is the molecular weight of 1-(4-nitrophenyl)-1H-pyrrole-2-carboxylic acid?
The molecular weight of 1-(4-nitrophenyl)-1H-pyrrole-2-carboxylic acid is 232.05 g/mol.
Where can I buy 1-(4-nitrophenyl)-1H-pyrrole-2-carboxylic acid?
You can request a quote for 1-(4-nitrophenyl)-1H-pyrrole-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-nitrophenyl)-1H-pyrrole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-nitrophenyl)-1H-pyrrole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.