Dimethyl 1-(4-F-benzoyl)-6-methylpyrrolo(2,1-A)isoquinoline-2,3-dicarboxylate
TL;DR: Dimethyl 1-(4-F-benzoyl)-6-methylpyrrolo(2,1-A)isoquinoline-2,3-dicarboxylate (CAS 618070-22-7) is a chemical compound with molecular formula C24H18FNO5 and molecular weight 419.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1-(4-fluorobenzoyl)-6-methylpyrrolo[2,1-a]isoquinoline-2,3-dicarboxylate
Also Known As: dimethyl 1-(4-fluorobenzoyl)-6-methylpyrrolo[2,1-a]isoquinoline-2,3-dicarboxylate, Dimethyl 1-(4-F-benzoyl)-6-methylpyrrolo(2,1-A)isoquinoline-2,3-dicarboxylate, 632-236-0, RefChem:588120
| Molecular Formula | C24H18FNO5 |
|---|---|
| Molecular Weight | 419.12 g/mol |
| LogP | 4.34422 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.1169 |
| Heavy Atoms | 31 |
| Complexity | 1368.7603 |
Chemical Identifiers
| CAS Number | 618070-22-7 |
|---|---|
| SMILES | CC1=CN2C(=C(C(=C2C(=O)OC)C(=O)OC)C(=O)C3=CC=C(C=C3)F)C4=CC=CC=C14 |
Product Overview
Dimethyl 1-(4-F-benzoyl)-6-methylpyrrolo(2,1-A)isoquinoline-2,3-dicarboxylate (CAS 618070-22-7), with molecular formula C24H18FNO5 and molecular weight 419.12 g/mol. IUPAC: dimethyl 1-(4-fluorobenzoyl)-6-methylpyrrolo[2,1-a]isoquinoline-2,3-dicarboxylate.
Chemical Property Profile of Dimethyl 1-(4-F-benzoyl)-6-methylpyrrolo(2,1-A)isoquinoline-2,3-dicarboxylate
Property Insights of Dimethyl 1-(4-F-benzoyl)-6-methylpyrrolo(2,1-A)isoquinoline-2,3-dicarboxylate
The XLogP value of 4.34422 indicates that Dimethyl 1-(4-F-benzoyl)-6-methylpyrrolo(2,1-A)isoquinoline-2,3-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 Dimethyl 1-(4-F-benzoyl)-6-methylpyrrolo(2,1-A)isoquinoline-2,3-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 1-(4-F-benzoyl)-6-methylpyrrolo(2,1-A)isoquinoline-2,3-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 Dimethyl 1-(4-F-benzoyl)-6-methylpyrrolo(2,1-A)isoquinoline-2,3-dicarboxylate?
The CAS number of Dimethyl 1-(4-F-benzoyl)-6-methylpyrrolo(2,1-A)isoquinoline-2,3-dicarboxylate is 618070-22-7.
What is the molecular formula of Dimethyl 1-(4-F-benzoyl)-6-methylpyrrolo(2,1-A)isoquinoline-2,3-dicarboxylate?
The molecular formula of Dimethyl 1-(4-F-benzoyl)-6-methylpyrrolo(2,1-A)isoquinoline-2,3-dicarboxylate is C24H18FNO5.
What is the molecular weight of Dimethyl 1-(4-F-benzoyl)-6-methylpyrrolo(2,1-A)isoquinoline-2,3-dicarboxylate?
The molecular weight of Dimethyl 1-(4-F-benzoyl)-6-methylpyrrolo(2,1-A)isoquinoline-2,3-dicarboxylate is 419.12 g/mol.
Where can I buy Dimethyl 1-(4-F-benzoyl)-6-methylpyrrolo(2,1-A)isoquinoline-2,3-dicarboxylate?
You can request a quote for Dimethyl 1-(4-F-benzoyl)-6-methylpyrrolo(2,1-A)isoquinoline-2,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 1-(4-F-benzoyl)-6-methylpyrrolo(2,1-A)isoquinoline-2,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 1-(4-F-benzoyl)-6-methylpyrrolo(2,1-A)isoquinoline-2,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.