Ethanone, 1-(2,4-dimethyl-5-phenyl-1H-pyrrol-3-yl)-
TL;DR: Ethanone, 1-(2,4-dimethyl-5-phenyl-1H-pyrrol-3-yl)- (CAS 91481-04-8) is a chemical compound with molecular formula C14H15NO and molecular weight 213.11537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,4-dimethyl-5-phenyl-1H-pyrrol-3-yl)ethanone
Also Known As: 1-(2,4-Dimethyl-5-phenyl-1H-pyrrol-3-yl)ethanone, Ketone, (2,4-dimethyl-5-phenylpyrrol-3-yl) methyl, 4-21-00-04099 (Beilstein Handbook Reference), ETHANONE, 1-(2,4-DIMETHYL-5-PHENYL-1H-PYRROL-3-YL)-, 1-(2,4-dimethyl-5-phenyl-1H-pyrrol-3-yl)ethan-1-one
Technical Specifications
| Molecular Formula | C14H15NO |
| Molecular Weight | 213.11537 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 32.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.11537 Da |
| Heavy Atoms | 16 |
| Complexity | 257.0 |
| SMILES | CC1=C(NC(=C1C(=O)C)C)C2=CC=CC=C2 |
| InChIKey | FICFGPGVKMGSFA-UHFFFAOYSA-N |
Chemical Property Profile of Ethanone, 1-(2,4-dimethyl-5-phenyl-1H-pyrrol-3-yl)-
Property Insights of Ethanone, 1-(2,4-dimethyl-5-phenyl-1H-pyrrol-3-yl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-(2,4-dimethyl-5-phenyl-1H-pyrrol-3-yl)-. With a topological polar surface area (TPSA) of 32.9 Ų, Ethanone, 1-(2,4-dimethyl-5-phenyl-1H-pyrrol-3-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-(2,4-dimethyl-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-(2,4-dimethyl-5-phenyl-1H-pyrrol-3-yl)-?
The CAS number of Ethanone, 1-(2,4-dimethyl-5-phenyl-1H-pyrrol-3-yl)- is 91481-04-8.
What is the molecular formula of Ethanone, 1-(2,4-dimethyl-5-phenyl-1H-pyrrol-3-yl)-?
The molecular formula of Ethanone, 1-(2,4-dimethyl-5-phenyl-1H-pyrrol-3-yl)- is C14H15NO.
What is the molecular weight of Ethanone, 1-(2,4-dimethyl-5-phenyl-1H-pyrrol-3-yl)-?
The molecular weight of Ethanone, 1-(2,4-dimethyl-5-phenyl-1H-pyrrol-3-yl)- is 213.11537 g/mol.
Where can I buy Ethanone, 1-(2,4-dimethyl-5-phenyl-1H-pyrrol-3-yl)-?
You can request a quote for Ethanone, 1-(2,4-dimethyl-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-(2,4-dimethyl-5-phenyl-1H-pyrrol-3-yl)-?
Yes, CoreyChem provides custom synthesis services for Ethanone, 1-(2,4-dimethyl-5-phenyl-1H-pyrrol-3-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.