ethyl 5-phenyl-2-(1-pyrrolidinyl)-1H-pyrrole-3-carboxylate
TL;DR: ethyl 5-phenyl-2-(1-pyrrolidinyl)-1H-pyrrole-3-carboxylate (CAS 118082-59-0) is a chemical compound with molecular formula C17H20N2O2 and molecular weight 284.15247 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-phenyl-2-pyrrolidin-1-yl-1H-pyrrole-3-carboxylate
Also Known As: Bionet2_000242, ethyl 5-phenyl-2-(1-pyrrolidinyl)-1H-pyrrole-3-carboxylate, ethyl 5-phenyl-2-(pyrrolidin-1-yl)-1H-pyrrole-3-carboxylate, ethylphenylpyrrolidinylpyrrolecarboxylate, ethyl 5-phenyl-2-pyrrolidin-1-yl-1H-pyrrole-3-carboxylate
Technical Specifications
| Molecular Formula | C17H20N2O2 |
| Molecular Weight | 284.15247 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 45.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.15247 Da |
| Heavy Atoms | 21 |
| Complexity | 349.0 |
| SMILES | CCOC(=O)C1=C(NC(=C1)C2=CC=CC=C2)N3CCCC3 |
| InChIKey | TVCCVTNTSHOKQT-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 5-phenyl-2-(1-pyrrolidinyl)-1H-pyrrole-3-carboxylate
Property Insights of ethyl 5-phenyl-2-(1-pyrrolidinyl)-1H-pyrrole-3-carboxylate
The XLogP value of 3.5 indicates that ethyl 5-phenyl-2-(1-pyrrolidinyl)-1H-pyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, ethyl 5-phenyl-2-(1-pyrrolidinyl)-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 5-phenyl-2-(1-pyrrolidinyl)-1H-pyrrole-3-carboxylate 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 ethyl 5-phenyl-2-(1-pyrrolidinyl)-1H-pyrrole-3-carboxylate?
The CAS number of ethyl 5-phenyl-2-(1-pyrrolidinyl)-1H-pyrrole-3-carboxylate is 118082-59-0.
What is the molecular formula of ethyl 5-phenyl-2-(1-pyrrolidinyl)-1H-pyrrole-3-carboxylate?
The molecular formula of ethyl 5-phenyl-2-(1-pyrrolidinyl)-1H-pyrrole-3-carboxylate is C17H20N2O2.
What is the molecular weight of ethyl 5-phenyl-2-(1-pyrrolidinyl)-1H-pyrrole-3-carboxylate?
The molecular weight of ethyl 5-phenyl-2-(1-pyrrolidinyl)-1H-pyrrole-3-carboxylate is 284.15247 g/mol.
Where can I buy ethyl 5-phenyl-2-(1-pyrrolidinyl)-1H-pyrrole-3-carboxylate?
You can request a quote for ethyl 5-phenyl-2-(1-pyrrolidinyl)-1H-pyrrole-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 5-phenyl-2-(1-pyrrolidinyl)-1H-pyrrole-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 5-phenyl-2-(1-pyrrolidinyl)-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.