1-Methyl-4-nitropyrrole-2-carboxylic acid
TL;DR: 1-Methyl-4-nitropyrrole-2-carboxylic acid (CAS 13138-78-8) is a chemical compound with molecular formula C6H6N2O4 and molecular weight 170.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-nitropyrrole-2-carboxylic acid
Also Known As: 1-Methyl-4-nitro-1H-pyrrole-2-carboxylic acid, 1-methyl-4-nitropyrrole-2-carboxylic acid, Maybridge1_008754, 1-methyl-4-nitro-pyrrole-2-carboxylic acid, 4-nitro-1-methylpyrrole carboxylic acid
| Molecular Formula | C6H6N2O4 |
|---|---|
| Molecular Weight | 170.03 g/mol |
| LogP | 0.6315 |
| Topological Polar Surface Area | 85.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.03276 |
| Heavy Atoms | 12 |
| Complexity | 341.31732 |
Chemical Identifiers
| CAS Number | 13138-78-8 |
|---|---|
| SMILES | CN1C=C(C=C1C(=O)O)[N+](=O)[O-] |
Product Overview
1-Methyl-4-nitropyrrole-2-carboxylic acid (CAS 13138-78-8), with molecular formula C6H6N2O4 and molecular weight 170.03 g/mol. IUPAC: 1-methyl-4-nitropyrrole-2-carboxylic acid.
Chemical Property Profile of 1-Methyl-4-nitropyrrole-2-carboxylic acid
Property Insights of 1-Methyl-4-nitropyrrole-2-carboxylic acid
The XLogP value of 0.6315 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-nitropyrrole-2-carboxylic acid. The TPSA of 85.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-4-nitropyrrole-2-carboxylic acid. Following Lipinski's Rule of Five, 1-Methyl-4-nitropyrrole-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-Methyl-4-nitropyrrole-2-carboxylic acid?
The CAS number of 1-Methyl-4-nitropyrrole-2-carboxylic acid is 13138-78-8.
What is the molecular formula of 1-Methyl-4-nitropyrrole-2-carboxylic acid?
The molecular formula of 1-Methyl-4-nitropyrrole-2-carboxylic acid is C6H6N2O4.
What is the molecular weight of 1-Methyl-4-nitropyrrole-2-carboxylic acid?
The molecular weight of 1-Methyl-4-nitropyrrole-2-carboxylic acid is 170.03 g/mol.
Where can I buy 1-Methyl-4-nitropyrrole-2-carboxylic acid?
You can request a quote for 1-Methyl-4-nitropyrrole-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-Methyl-4-nitropyrrole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-nitropyrrole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.