![1-[2,5-dimethyl-4-(2-nitrophenyl)-1H-pyrrol-3-yl]ethanone structure](/static/products/109/109704-02-1.webp)
1-[2,5-dimethyl-4-(2-nitrophenyl)-1H-pyrrol-3-yl]ethanone
TL;DR: 1-[2,5-dimethyl-4-(2-nitrophenyl)-1H-pyrrol-3-yl]ethanone (CAS 109704-02-1) is a chemical compound with molecular formula C14H14N2O3 and molecular weight 258.10043 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2,5-dimethyl-4-(2-nitrophenyl)-1H-pyrrol-3-yl]ethanone
Also Known As: 1-[2,5-dimethyl-4-(2-nitrophenyl)-1H-pyrrol-3-yl]ethanone, Methyl[2,5-dimethyl-4-(2-nitrophenyl)-3-pyrrolyl]keton
Technical Specifications
| Molecular Formula | C14H14N2O3 |
| Molecular Weight | 258.10043 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 78.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.10043 Da |
| Heavy Atoms | 19 |
| Complexity | 366.0 |
| SMILES | CC1=C(C(=C(N1)C)C(=O)C)C2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | ILBJCWSQUBULJR-UHFFFAOYSA-N |
Chemical Property Profile of 1-[2,5-dimethyl-4-(2-nitrophenyl)-1H-pyrrol-3-yl]ethanone
Property Insights of 1-[2,5-dimethyl-4-(2-nitrophenyl)-1H-pyrrol-3-yl]ethanone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2,5-dimethyl-4-(2-nitrophenyl)-1H-pyrrol-3-yl]ethanone. The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2,5-dimethyl-4-(2-nitrophenyl)-1H-pyrrol-3-yl]ethanone. Following Lipinski's Rule of Five, 1-[2,5-dimethyl-4-(2-nitrophenyl)-1H-pyrrol-3-yl]ethanone has 1 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-[2,5-dimethyl-4-(2-nitrophenyl)-1H-pyrrol-3-yl]ethanone?
The CAS number of 1-[2,5-dimethyl-4-(2-nitrophenyl)-1H-pyrrol-3-yl]ethanone is 109704-02-1.
What is the molecular formula of 1-[2,5-dimethyl-4-(2-nitrophenyl)-1H-pyrrol-3-yl]ethanone?
The molecular formula of 1-[2,5-dimethyl-4-(2-nitrophenyl)-1H-pyrrol-3-yl]ethanone is C14H14N2O3.
What is the molecular weight of 1-[2,5-dimethyl-4-(2-nitrophenyl)-1H-pyrrol-3-yl]ethanone?
The molecular weight of 1-[2,5-dimethyl-4-(2-nitrophenyl)-1H-pyrrol-3-yl]ethanone is 258.10043 g/mol.
Where can I buy 1-[2,5-dimethyl-4-(2-nitrophenyl)-1H-pyrrol-3-yl]ethanone?
You can request a quote for 1-[2,5-dimethyl-4-(2-nitrophenyl)-1H-pyrrol-3-yl]ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[2,5-dimethyl-4-(2-nitrophenyl)-1H-pyrrol-3-yl]ethanone?
Yes, CoreyChem provides custom synthesis services for 1-[2,5-dimethyl-4-(2-nitrophenyl)-1H-pyrrol-3-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.