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Dimethyl 3-((3-fluorophenyl)carbamoyl)pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate
TL;DR: Dimethyl 3-((3-fluorophenyl)carbamoyl)pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate (CAS 618070-10-3) is a chemical compound with molecular formula C23H17FN2O5 and molecular weight 420.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-[(3-fluorophenyl)carbamoyl]pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate
Also Known As: Dimethyl 3-((3-fluorophenyl)carbamoyl)pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate, dimethyl 3-[(3-fluoroanilino)carbonyl]pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate, dimethyl 3-[(3-fluorophenyl)carbamoyl]pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate
| Molecular Formula | C23H17FN2O5 |
|---|---|
| Molecular Weight | 420.11 g/mol |
| LogP | 4.0571 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.11215 |
| Heavy Atoms | 31 |
| Complexity | 1359.1003 |
Chemical Identifiers
| CAS Number | 618070-10-3 |
|---|---|
| SMILES | COC(=O)C1=C2C3=CC=CC=C3C=CN2C(=C1C(=O)OC)C(=O)NC4=CC(=CC=C4)F |
Product Overview
Dimethyl 3-((3-fluorophenyl)carbamoyl)pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate (CAS 618070-10-3), with molecular formula C23H17FN2O5 and molecular weight 420.11 g/mol. IUPAC: dimethyl 3-[(3-fluorophenyl)carbamoyl]pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate.
Chemical Property Profile of Dimethyl 3-((3-fluorophenyl)carbamoyl)pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate
Property Insights of Dimethyl 3-((3-fluorophenyl)carbamoyl)pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate
The XLogP value of 4.0571 indicates that Dimethyl 3-((3-fluorophenyl)carbamoyl)pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 3-((3-fluorophenyl)carbamoyl)pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 3-((3-fluorophenyl)carbamoyl)pyrrolo[2,1-a]isoquinoline-1,2-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
Frequently Asked Questions
What is the CAS number of Dimethyl 3-((3-fluorophenyl)carbamoyl)pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate?
The CAS number of Dimethyl 3-((3-fluorophenyl)carbamoyl)pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate is 618070-10-3.
What is the molecular formula of Dimethyl 3-((3-fluorophenyl)carbamoyl)pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate?
The molecular formula of Dimethyl 3-((3-fluorophenyl)carbamoyl)pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate is C23H17FN2O5.
What is the molecular weight of Dimethyl 3-((3-fluorophenyl)carbamoyl)pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate?
The molecular weight of Dimethyl 3-((3-fluorophenyl)carbamoyl)pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate is 420.11 g/mol.
Where can I buy Dimethyl 3-((3-fluorophenyl)carbamoyl)pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate?
You can request a quote for Dimethyl 3-((3-fluorophenyl)carbamoyl)pyrrolo[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 Dimethyl 3-((3-fluorophenyl)carbamoyl)pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 3-((3-fluorophenyl)carbamoyl)pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.