Ethanone, 1-(2-methyl-5-phenyl-1H-pyrrol-3-yl)-
TL;DR: Ethanone, 1-(2-methyl-5-phenyl-1H-pyrrol-3-yl)- (CAS 13219-97-1) is a chemical compound with molecular formula C13H13NO and molecular weight 199.09972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-methyl-5-phenyl-1H-pyrrol-3-yl)ethanone
Also Known As: 1-(2-Methyl-5-phenyl-1H-pyrrol-3-yl)ethanone, Ketone, (2-methyl-5-phenylpyrrol-3-yl) methyl, ETHANONE, 1-(2-METHYL-5-PHENYL-1H-PYRROL-3-YL)-, 2-Methyl-3-acetyl-5-phenyl-1H-pyrrole, 5-21-08-00494 (Beilstein Handbook Reference)
Technical Specifications
| Molecular Formula | C13H13NO |
| Molecular Weight | 199.09972 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 32.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.09972 Da |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
| SMILES | CC1=C(C=C(N1)C2=CC=CC=C2)C(=O)C |
| InChIKey | FGHHOEXZUJMFDD-UHFFFAOYSA-N |
Chemical Property Profile of Ethanone, 1-(2-methyl-5-phenyl-1H-pyrrol-3-yl)-
Property Insights of Ethanone, 1-(2-methyl-5-phenyl-1H-pyrrol-3-yl)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-(2-methyl-5-phenyl-1H-pyrrol-3-yl)-. With a topological polar surface area (TPSA) of 32.9 Ų, Ethanone, 1-(2-methyl-5-phenyl-1H-pyrrol-3-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-(2-methyl-5-phenyl-1H-pyrrol-3-yl)- 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 Ethanone, 1-(2-methyl-5-phenyl-1H-pyrrol-3-yl)-?
The CAS number of Ethanone, 1-(2-methyl-5-phenyl-1H-pyrrol-3-yl)- is 13219-97-1.
What is the molecular formula of Ethanone, 1-(2-methyl-5-phenyl-1H-pyrrol-3-yl)-?
The molecular formula of Ethanone, 1-(2-methyl-5-phenyl-1H-pyrrol-3-yl)- is C13H13NO.
What is the molecular weight of Ethanone, 1-(2-methyl-5-phenyl-1H-pyrrol-3-yl)-?
The molecular weight of Ethanone, 1-(2-methyl-5-phenyl-1H-pyrrol-3-yl)- is 199.09972 g/mol.
Where can I buy Ethanone, 1-(2-methyl-5-phenyl-1H-pyrrol-3-yl)-?
You can request a quote for Ethanone, 1-(2-methyl-5-phenyl-1H-pyrrol-3-yl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethanone, 1-(2-methyl-5-phenyl-1H-pyrrol-3-yl)-?
Yes, CoreyChem provides custom synthesis services for Ethanone, 1-(2-methyl-5-phenyl-1H-pyrrol-3-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.