![Diethyl 3-benzoylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate structure](/static/products/780/780791-08-4.png)
Diethyl 3-benzoylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate
TL;DR: Diethyl 3-benzoylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate (CAS 780791-08-4) is a chemical compound with molecular formula C25H21NO5 and molecular weight 415.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-benzoylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate
Also Known As: J2.805.437H, diethyl 3-benzoylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate, diethyl 3-benzoylpyrrolo(2,1-a)isoquinoline-1,2-dicarboxylate, 1,2-diethyl 3-benzoylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate, 3-Benzoylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylic acid diethyl ester
| Molecular Formula | C25H21NO5 |
|---|---|
| Molecular Weight | 415.14 g/mol |
| LogP | 4.6769 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.14197 |
| Heavy Atoms | 31 |
| Complexity | 1303.9991 |
Chemical Identifiers
| CAS Number | 780791-08-4 |
|---|---|
| SMILES | CCOC(=O)C1=C2C3=CC=CC=C3C=CN2C(=C1C(=O)OCC)C(=O)C4=CC=CC=C4 |
Product Overview
Diethyl 3-benzoylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate (CAS 780791-08-4), with molecular formula C25H21NO5 and molecular weight 415.14 g/mol. IUPAC: diethyl 3-benzoylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate.
Chemical Property Profile of Diethyl 3-benzoylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate
Property Insights of Diethyl 3-benzoylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate
The XLogP value of 4.6769 indicates that Diethyl 3-benzoylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 3-benzoylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 3-benzoylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diethyl 3-benzoylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate?
The CAS number of Diethyl 3-benzoylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate is 780791-08-4.
What is the molecular formula of Diethyl 3-benzoylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate?
The molecular formula of Diethyl 3-benzoylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate is C25H21NO5.
What is the molecular weight of Diethyl 3-benzoylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate?
The molecular weight of Diethyl 3-benzoylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate is 415.14 g/mol.
Where can I buy Diethyl 3-benzoylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate?
You can request a quote for Diethyl 3-benzoylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 3-benzoylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 3-benzoylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.