5-Methyl-4-nitro-1-propylpyrrole-2-carboxylic acid
TL;DR: 5-Methyl-4-nitro-1-propylpyrrole-2-carboxylic acid (CAS 147871-49-6) is a chemical compound with molecular formula C9H12N2O4 and molecular weight 212.07971 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-4-nitro-1-propylpyrrole-2-carboxylic acid
Also Known As: 4-nitro-5-methyl-1-propyl-1H-pyrrole-2-carboxylicacid, 5-methyl-4-nitro-1-propylpyrrole-2-carboxylic acid, AQ-387/42302720, 5-Methyl-4-nitro-1-propyl-1H-pyrrole-2-carboxylic acid
Technical Specifications
| Molecular Formula | C9H12N2O4 |
| Molecular Weight | 212.07971 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 88.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.07971 Da |
| Heavy Atoms | 15 |
| Complexity | 263.0 |
| SMILES | CCCN1C(=C(C=C1C(=O)O)[N+](=O)[O-])C |
| InChIKey | CHNVWOWPXOEEMR-UHFFFAOYSA-N |
Chemical Property Profile of 5-Methyl-4-nitro-1-propylpyrrole-2-carboxylic acid
Property Insights of 5-Methyl-4-nitro-1-propylpyrrole-2-carboxylic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-4-nitro-1-propylpyrrole-2-carboxylic acid. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-4-nitro-1-propylpyrrole-2-carboxylic acid. Following Lipinski's Rule of Five, 5-Methyl-4-nitro-1-propylpyrrole-2-carboxylic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Methyl-4-nitro-1-propylpyrrole-2-carboxylic acid?
The CAS number of 5-Methyl-4-nitro-1-propylpyrrole-2-carboxylic acid is 147871-49-6.
What is the molecular formula of 5-Methyl-4-nitro-1-propylpyrrole-2-carboxylic acid?
The molecular formula of 5-Methyl-4-nitro-1-propylpyrrole-2-carboxylic acid is C9H12N2O4.
What is the molecular weight of 5-Methyl-4-nitro-1-propylpyrrole-2-carboxylic acid?
The molecular weight of 5-Methyl-4-nitro-1-propylpyrrole-2-carboxylic acid is 212.07971 g/mol.
Where can I buy 5-Methyl-4-nitro-1-propylpyrrole-2-carboxylic acid?
You can request a quote for 5-Methyl-4-nitro-1-propylpyrrole-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Methyl-4-nitro-1-propylpyrrole-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 5-Methyl-4-nitro-1-propylpyrrole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.