ethyl 3-(4-benzoyl-1-methyl-1H-pyrrol-2-yl)acrylate
TL;DR: ethyl 3-(4-benzoyl-1-methyl-1H-pyrrol-2-yl)acrylate (CAS 128843-39-0) is a chemical compound with molecular formula C17H17NO3 and molecular weight 283.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-(4-benzoyl-1-methylpyrrol-2-yl)prop-2-enoate
Also Known As: ethyl 3-(4-benzoyl-1-methyl-1H-pyrrol-2-yl)acrylate, ethyl 3-(4-benzoyl-1-methylpyrrol-2-yl)prop-2-enoate, ETHYL 3-(4-BENZOYL-1-METHYL-1H-PYRROL-2-YL)-ACRYLATE, ethyl 3-(4-benzoyl-1-methyl-1H-pyrrol-2-yl) acrylate, ethyl 3-(4-benzoyl-1-methyl-1H-pyrrol-2-yl)prop-2-enoate
Technical Specifications
| Molecular Formula | C17H17NO3 |
| Molecular Weight | 283.12085 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 283.12085 Da |
| Heavy Atoms | 21 |
| Complexity | 399.0 |
| SMILES | CCOC(=O)C=CC1=CC(=CN1C)C(=O)C2=CC=CC=C2 |
| InChIKey | NCGLYNLNULEKEH-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 3-(4-benzoyl-1-methyl-1H-pyrrol-2-yl)acrylate
Property Insights of ethyl 3-(4-benzoyl-1-methyl-1H-pyrrol-2-yl)acrylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-(4-benzoyl-1-methyl-1H-pyrrol-2-yl)acrylate. With a topological polar surface area (TPSA) of 48.3 Ų, ethyl 3-(4-benzoyl-1-methyl-1H-pyrrol-2-yl)acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 3-(4-benzoyl-1-methyl-1H-pyrrol-2-yl)acrylate 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 ethyl 3-(4-benzoyl-1-methyl-1H-pyrrol-2-yl)acrylate?
The CAS number of ethyl 3-(4-benzoyl-1-methyl-1H-pyrrol-2-yl)acrylate is 128843-39-0.
What is the molecular formula of ethyl 3-(4-benzoyl-1-methyl-1H-pyrrol-2-yl)acrylate?
The molecular formula of ethyl 3-(4-benzoyl-1-methyl-1H-pyrrol-2-yl)acrylate is C17H17NO3.
What is the molecular weight of ethyl 3-(4-benzoyl-1-methyl-1H-pyrrol-2-yl)acrylate?
The molecular weight of ethyl 3-(4-benzoyl-1-methyl-1H-pyrrol-2-yl)acrylate is 283.12085 g/mol.
Where can I buy ethyl 3-(4-benzoyl-1-methyl-1H-pyrrol-2-yl)acrylate?
You can request a quote for ethyl 3-(4-benzoyl-1-methyl-1H-pyrrol-2-yl)acrylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 3-(4-benzoyl-1-methyl-1H-pyrrol-2-yl)acrylate?
Yes, CoreyChem provides custom synthesis services for ethyl 3-(4-benzoyl-1-methyl-1H-pyrrol-2-yl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.