4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde
TL;DR: 4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde (CAS 128843-61-8) is a chemical compound with molecular formula C13H10FNO2 and molecular weight 231.06955 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-fluorobenzoyl)-1-methylpyrrole-2-carbaldehyde
Also Known As: 4-(4-fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde, 4-(4-fluorobenzoyl)-1-methylpyrrole-2-carbaldehyde, 4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carboxaldehyde, 5450AA, 4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2- carbaldehyde
Technical Specifications
| Molecular Formula | C13H10FNO2 |
| Molecular Weight | 231.06955 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 39.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.06955 Da |
| Heavy Atoms | 17 |
| Complexity | 300.0 |
| SMILES | CN1C=C(C=C1C=O)C(=O)C2=CC=C(C=C2)F |
| InChIKey | GNMRXQTZWYXHMO-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde
Property Insights of 4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde. With a topological polar surface area (TPSA) of 39.1 Ų, 4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde has 0 hydrogen bond donor(s) and 3 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-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde?
The CAS number of 4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde is 128843-61-8.
What is the molecular formula of 4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde?
The molecular formula of 4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde is C13H10FNO2.
What is the molecular weight of 4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde?
The molecular weight of 4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde is 231.06955 g/mol.
Where can I buy 4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde?
You can request a quote for 4-(4-Fluorobenzoyl)-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-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde?
Yes, CoreyChem provides custom synthesis services for 4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.