![1-[4-Acetyl-1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone structure](/static/products/1120/112086-83-6.webp)
1-[4-Acetyl-1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone
TL;DR: 1-[4-Acetyl-1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone (CAS 112086-83-6) is a chemical compound with molecular formula C18H21NO3 and molecular weight 299.15213 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-acetyl-1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone
Also Known As: BAS 01122630, BIM-0015037.P001, VU0061038-1, 1-[4-acetyl-1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone, 1,1'-[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrole-3,4-diyl]diethanone
Technical Specifications
| Molecular Formula | C18H21NO3 |
| Molecular Weight | 299.15213 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.15213 Da |
| Heavy Atoms | 22 |
| Complexity | 389.0 |
| SMILES | CCOC1=CC=C(C=C1)N2C(=C(C(=C2C)C(=O)C)C(=O)C)C |
| InChIKey | IHRSQNKXVPNGOQ-UHFFFAOYSA-N |
Chemical Property Profile of 1-[4-Acetyl-1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone
Property Insights of 1-[4-Acetyl-1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-Acetyl-1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone. With a topological polar surface area (TPSA) of 48.3 Ų, 1-[4-Acetyl-1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-Acetyl-1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone 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 1-[4-Acetyl-1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone?
The CAS number of 1-[4-Acetyl-1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone is 112086-83-6.
What is the molecular formula of 1-[4-Acetyl-1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone?
The molecular formula of 1-[4-Acetyl-1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone is C18H21NO3.
What is the molecular weight of 1-[4-Acetyl-1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone?
The molecular weight of 1-[4-Acetyl-1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone is 299.15213 g/mol.
Where can I buy 1-[4-Acetyl-1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone?
You can request a quote for 1-[4-Acetyl-1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[4-Acetyl-1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone?
Yes, CoreyChem provides custom synthesis services for 1-[4-Acetyl-1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.