![3-(3,4-Dimethoxybenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile structure](/static/products/6180/618070-11-4.webp)
3-(3,4-Dimethoxybenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile
TL;DR: 3-(3,4-Dimethoxybenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile (CAS 618070-11-4) is a chemical compound with molecular formula C22H16N2O3 and molecular weight 356.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxybenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile
Also Known As: 3-(3,4-dimethoxybenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile, AQ-407/42033869, 3-(3,4-dimethoxybenzoyl)pyrrolo(2,1-a)isoquinoline-1-carbonitrile
| Molecular Formula | C22H16N2O3 |
|---|---|
| Molecular Weight | 356.12 g/mol |
| LogP | 4.21238 |
| Topological Polar Surface Area | 63.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.1161 |
| Heavy Atoms | 27 |
| Complexity | 1231.748 |
Chemical Identifiers
| CAS Number | 618070-11-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)C2=CC(=C3N2C=CC4=CC=CC=C43)C#N)OC |
Product Overview
3-(3,4-Dimethoxybenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile (CAS 618070-11-4), with molecular formula C22H16N2O3 and molecular weight 356.12 g/mol. IUPAC: 3-(3,4-dimethoxybenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile.
Chemical Property Profile of 3-(3,4-Dimethoxybenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile
Property Insights of 3-(3,4-Dimethoxybenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile
The XLogP value of 4.21238 indicates that 3-(3,4-Dimethoxybenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-Dimethoxybenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile. Following Lipinski's Rule of Five, 3-(3,4-Dimethoxybenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile has 0 hydrogen bond donor(s) and 4 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 3-(3,4-Dimethoxybenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile?
The CAS number of 3-(3,4-Dimethoxybenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile is 618070-11-4.
What is the molecular formula of 3-(3,4-Dimethoxybenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile?
The molecular formula of 3-(3,4-Dimethoxybenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile is C22H16N2O3.
What is the molecular weight of 3-(3,4-Dimethoxybenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile?
The molecular weight of 3-(3,4-Dimethoxybenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile is 356.12 g/mol.
Where can I buy 3-(3,4-Dimethoxybenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile?
You can request a quote for 3-(3,4-Dimethoxybenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-Dimethoxybenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dimethoxybenzoyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.