Ethanone, 1-(4-acetyl-1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl)-
TL;DR: Ethanone, 1-(4-acetyl-1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl)- (CAS 112086-80-3) is a chemical compound with molecular formula C16H16BrNO2 and molecular weight 333.03644 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-acetyl-1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
Also Known As: 1-(4-Bromophenyl)-2,5-dimethyl-3,4-diacetylpyrrole, AB01333586-02, Ethanone, 1-(4-acetyl-1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl)-, 3,4-diacetyl-1-(4-bromophenyl)-2,5-dimethylpyrrole, 1-(4-Acetyl-1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl)ethanone
Technical Specifications
| Molecular Formula | C16H16BrNO2 |
| Molecular Weight | 333.03644 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 39.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.03644 Da |
| Heavy Atoms | 20 |
| Complexity | 364.0 |
| SMILES | CC1=C(C(=C(N1C2=CC=C(C=C2)Br)C)C(=O)C)C(=O)C |
| InChIKey | JNIRSUCRIFCGQM-UHFFFAOYSA-N |
Chemical Property Profile of Ethanone, 1-(4-acetyl-1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl)-
Property Insights of Ethanone, 1-(4-acetyl-1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl)-
The XLogP value of 3.2 indicates that Ethanone, 1-(4-acetyl-1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.1 Ų, Ethanone, 1-(4-acetyl-1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-(4-acetyl-1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl)- 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 Ethanone, 1-(4-acetyl-1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl)-?
The CAS number of Ethanone, 1-(4-acetyl-1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl)- is 112086-80-3.
What is the molecular formula of Ethanone, 1-(4-acetyl-1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl)-?
The molecular formula of Ethanone, 1-(4-acetyl-1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl)- is C16H16BrNO2.
What is the molecular weight of Ethanone, 1-(4-acetyl-1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl)-?
The molecular weight of Ethanone, 1-(4-acetyl-1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl)- is 333.03644 g/mol.
Where can I buy Ethanone, 1-(4-acetyl-1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl)-?
You can request a quote for Ethanone, 1-(4-acetyl-1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethanone, 1-(4-acetyl-1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl)-?
Yes, CoreyChem provides custom synthesis services for Ethanone, 1-(4-acetyl-1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.