3-Acetyl-2,5-dimethyl-4-(3-methylphenyl)pyrrole
TL;DR: 3-Acetyl-2,5-dimethyl-4-(3-methylphenyl)pyrrole (CAS 109704-01-0) is a chemical compound with molecular formula C15H17NO and molecular weight 227.13101 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2,5-dimethyl-4-(3-methylphenyl)-1H-pyrrol-3-yl]ethanone
Also Known As: 3-acetyl-2,5-dimethyl-4-(3-methylphenyl)pyrrole, Methyl[2,5-dimethyl-4-(3-tolyl)-3-pyrrolyl]keton, 1-[2,5-dimethyl-4-(3-methylphenyl)-1H-pyrrol-3-yl]ethanone
Technical Specifications
| Molecular Formula | C15H17NO |
| Molecular Weight | 227.13101 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 32.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.13101 Da |
| Heavy Atoms | 17 |
| Complexity | 289.0 |
| SMILES | CC1=CC(=CC=C1)C2=C(NC(=C2C(=O)C)C)C |
| InChIKey | IYVFRZUGGISZRW-UHFFFAOYSA-N |
Chemical Property Profile of 3-Acetyl-2,5-dimethyl-4-(3-methylphenyl)pyrrole
Property Insights of 3-Acetyl-2,5-dimethyl-4-(3-methylphenyl)pyrrole
The XLogP value of 3.2 indicates that 3-Acetyl-2,5-dimethyl-4-(3-methylphenyl)pyrrole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.9 Ų, 3-Acetyl-2,5-dimethyl-4-(3-methylphenyl)pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetyl-2,5-dimethyl-4-(3-methylphenyl)pyrrole has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Acetyl-2,5-dimethyl-4-(3-methylphenyl)pyrrole?
The CAS number of 3-Acetyl-2,5-dimethyl-4-(3-methylphenyl)pyrrole is 109704-01-0.
What is the molecular formula of 3-Acetyl-2,5-dimethyl-4-(3-methylphenyl)pyrrole?
The molecular formula of 3-Acetyl-2,5-dimethyl-4-(3-methylphenyl)pyrrole is C15H17NO.
What is the molecular weight of 3-Acetyl-2,5-dimethyl-4-(3-methylphenyl)pyrrole?
The molecular weight of 3-Acetyl-2,5-dimethyl-4-(3-methylphenyl)pyrrole is 227.13101 g/mol.
Where can I buy 3-Acetyl-2,5-dimethyl-4-(3-methylphenyl)pyrrole?
You can request a quote for 3-Acetyl-2,5-dimethyl-4-(3-methylphenyl)pyrrole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Acetyl-2,5-dimethyl-4-(3-methylphenyl)pyrrole?
Yes, CoreyChem provides custom synthesis services for 3-Acetyl-2,5-dimethyl-4-(3-methylphenyl)pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.