4-benzoyl-1-methyl-1H-pyrrole-2-carbaldehyde
TL;DR: 4-benzoyl-1-methyl-1H-pyrrole-2-carbaldehyde (CAS 128843-58-3) is a chemical compound with molecular formula C13H11NO2 and molecular weight 213.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-benzoyl-1-methylpyrrole-2-carbaldehyde
Also Known As: 4-benzoyl-1-methyl-1H-pyrrole-2-carbaldehyde, 4-benzoyl-1-methylpyrrole-2-carbaldehyde, 1H-Pyrrole-2-carboxaldehyde, 4-benzoyl-1-methyl-, benzoylmethylpyrrolecarbaldehyde, 3521AD
Technical Specifications
| Molecular Formula | C13H11NO2 |
| Molecular Weight | 213.07898 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 39.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.07898 Da |
| Heavy Atoms | 16 |
| Complexity | 271.0 |
| SMILES | CN1C=C(C=C1C=O)C(=O)C2=CC=CC=C2 |
| InChIKey | WDCINSJQPIINCX-UHFFFAOYSA-N |
Chemical Property Profile of 4-benzoyl-1-methyl-1H-pyrrole-2-carbaldehyde
Property Insights of 4-benzoyl-1-methyl-1H-pyrrole-2-carbaldehyde
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-benzoyl-1-methyl-1H-pyrrole-2-carbaldehyde. With a topological polar surface area (TPSA) of 39.1 Ų, 4-benzoyl-1-methyl-1H-pyrrole-2-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-benzoyl-1-methyl-1H-pyrrole-2-carbaldehyde has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-benzoyl-1-methyl-1H-pyrrole-2-carbaldehyde?
The CAS number of 4-benzoyl-1-methyl-1H-pyrrole-2-carbaldehyde is 128843-58-3.
What is the molecular formula of 4-benzoyl-1-methyl-1H-pyrrole-2-carbaldehyde?
The molecular formula of 4-benzoyl-1-methyl-1H-pyrrole-2-carbaldehyde is C13H11NO2.
What is the molecular weight of 4-benzoyl-1-methyl-1H-pyrrole-2-carbaldehyde?
The molecular weight of 4-benzoyl-1-methyl-1H-pyrrole-2-carbaldehyde is 213.07898 g/mol.
Where can I buy 4-benzoyl-1-methyl-1H-pyrrole-2-carbaldehyde?
You can request a quote for 4-benzoyl-1-methyl-1H-pyrrole-2-carbaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-benzoyl-1-methyl-1H-pyrrole-2-carbaldehyde?
Yes, CoreyChem provides custom synthesis services for 4-benzoyl-1-methyl-1H-pyrrole-2-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.