1-methyl-4-(4-nitrobenzoyl)-1H-pyrrole-2-carbaldehyde
TL;DR: 1-methyl-4-(4-nitrobenzoyl)-1H-pyrrole-2-carbaldehyde (CAS 128843-59-4) is a chemical compound with molecular formula C13H10N2O4 and molecular weight 258.06406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-4-(4-nitrobenzoyl)pyrrole-2-carbaldehyde
Also Known As: 1-methyl-4-(4-nitrobenzoyl)-1H-pyrrole-2-carbaldehyde, 1-methyl-4-(4-nitrobenzoyl)pyrrole-2-carbaldehyde, methylnitrobenzoylpyrrolecarbaldehyde, 3522AD, 1-methyl-4-(4-nitrobenzoyl)-1H-pyrrole-2- carbaldehyde
Technical Specifications
| Molecular Formula | C13H10N2O4 |
| Molecular Weight | 258.06406 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 84.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.06406 Da |
| Heavy Atoms | 19 |
| Complexity | 371.0 |
| SMILES | CN1C=C(C=C1C=O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | NXKMAVMESJKNLK-UHFFFAOYSA-N |
Chemical Property Profile of 1-methyl-4-(4-nitrobenzoyl)-1H-pyrrole-2-carbaldehyde
Property Insights of 1-methyl-4-(4-nitrobenzoyl)-1H-pyrrole-2-carbaldehyde
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-4-(4-nitrobenzoyl)-1H-pyrrole-2-carbaldehyde. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-4-(4-nitrobenzoyl)-1H-pyrrole-2-carbaldehyde. Following Lipinski's Rule of Five, 1-methyl-4-(4-nitrobenzoyl)-1H-pyrrole-2-carbaldehyde has 0 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 1-methyl-4-(4-nitrobenzoyl)-1H-pyrrole-2-carbaldehyde?
The CAS number of 1-methyl-4-(4-nitrobenzoyl)-1H-pyrrole-2-carbaldehyde is 128843-59-4.
What is the molecular formula of 1-methyl-4-(4-nitrobenzoyl)-1H-pyrrole-2-carbaldehyde?
The molecular formula of 1-methyl-4-(4-nitrobenzoyl)-1H-pyrrole-2-carbaldehyde is C13H10N2O4.
What is the molecular weight of 1-methyl-4-(4-nitrobenzoyl)-1H-pyrrole-2-carbaldehyde?
The molecular weight of 1-methyl-4-(4-nitrobenzoyl)-1H-pyrrole-2-carbaldehyde is 258.06406 g/mol.
Where can I buy 1-methyl-4-(4-nitrobenzoyl)-1H-pyrrole-2-carbaldehyde?
You can request a quote for 1-methyl-4-(4-nitrobenzoyl)-1H-pyrrole-2-carbaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-methyl-4-(4-nitrobenzoyl)-1H-pyrrole-2-carbaldehyde?
Yes, CoreyChem provides custom synthesis services for 1-methyl-4-(4-nitrobenzoyl)-1H-pyrrole-2-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.