Diethyl (5-benzoylpyrrol-2-yl)methane-dicarboxylate
TL;DR: Diethyl (5-benzoylpyrrol-2-yl)methane-dicarboxylate (CAS 144710-35-0) is a chemical compound with molecular formula C18H19NO5 and molecular weight 329.1263 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 2-(5-benzoyl-1H-pyrrol-2-yl)propanedioate
Also Known As: Ketorolac impurity 61, Ketorolac Impurity 31, Ketorolac Impurity 42, diethyl 2-(5-benzoyl-1H-pyrrol-2-yl)malonate, diethyl (5-benzoylpyrrol-2-yl)methane-dicarboxylate
Technical Specifications
| Molecular Formula | C18H19NO5 |
| Molecular Weight | 329.1263 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 85.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 329.1263 Da |
| Heavy Atoms | 24 |
| Complexity | 440.0 |
| SMILES | CCOC(=O)C(C1=CC=C(N1)C(=O)C2=CC=CC=C2)C(=O)OCC |
| InChIKey | GNHABAJJEFVNQW-UHFFFAOYSA-N |
Chemical Property Profile of Diethyl (5-benzoylpyrrol-2-yl)methane-dicarboxylate
Property Insights of Diethyl (5-benzoylpyrrol-2-yl)methane-dicarboxylate
The XLogP value of 3.1 indicates that Diethyl (5-benzoylpyrrol-2-yl)methane-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl (5-benzoylpyrrol-2-yl)methane-dicarboxylate. Following Lipinski's Rule of Five, Diethyl (5-benzoylpyrrol-2-yl)methane-dicarboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Diethyl (5-benzoylpyrrol-2-yl)methane-dicarboxylate?
The CAS number of Diethyl (5-benzoylpyrrol-2-yl)methane-dicarboxylate is 144710-35-0.
What is the molecular formula of Diethyl (5-benzoylpyrrol-2-yl)methane-dicarboxylate?
The molecular formula of Diethyl (5-benzoylpyrrol-2-yl)methane-dicarboxylate is C18H19NO5.
What is the molecular weight of Diethyl (5-benzoylpyrrol-2-yl)methane-dicarboxylate?
The molecular weight of Diethyl (5-benzoylpyrrol-2-yl)methane-dicarboxylate is 329.1263 g/mol.
Where can I buy Diethyl (5-benzoylpyrrol-2-yl)methane-dicarboxylate?
You can request a quote for Diethyl (5-benzoylpyrrol-2-yl)methane-dicarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl (5-benzoylpyrrol-2-yl)methane-dicarboxylate?
Yes, CoreyChem provides custom synthesis services for Diethyl (5-benzoylpyrrol-2-yl)methane-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.