![2-Benzoyl-1-[(3,4-dimethoxy-2-nitrophenyl)methyl]isoquinoline-1-carbonitrile structure](/static/products/3313/33130-17-5.webp)
2-Benzoyl-1-[(3,4-dimethoxy-2-nitrophenyl)methyl]isoquinoline-1-carbonitrile
TL;DR: 2-Benzoyl-1-[(3,4-dimethoxy-2-nitrophenyl)methyl]isoquinoline-1-carbonitrile (CAS 33130-17-5) is a chemical compound with molecular formula C26H21N3O5 and molecular weight 455.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoyl-1-[(3,4-dimethoxy-2-nitrophenyl)methyl]isoquinoline-1-carbonitrile
Also Known As: 2-benzoyl-1-[(3,4-dimethoxy-2-nitrophenyl)methyl]isoquinoline-1-carbonitrile, 2-benzoyl-1-[(3,4-dimethoxy-2-nitrophenyl)methyl]isoquinolin, 2-Benzoyl-1-[(3,4-dimethoxy-2-nitrophenyl)methyl]-1,2-dihydroisoquinoline-1-carbonitrile
| Molecular Formula | C26H21N3O5 |
|---|---|
| Molecular Weight | 455.15 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.14813 |
| Heavy Atoms | 34 |
| Complexity | 826.0 |
Chemical Identifiers
| CAS Number | 33130-17-5 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)CC2(C3=CC=CC=C3C=CN2C(=O)C4=CC=CC=C4)C#N)[N+](=O)[O-])OC |
| InChIKey | POWZMNYQYYQJRX-UHFFFAOYSA-N |
Product Overview
2-Benzoyl-1-[(3,4-dimethoxy-2-nitrophenyl)methyl]isoquinoline-1-carbonitrile (CAS 33130-17-5), with molecular formula C26H21N3O5 and molecular weight 455.15 g/mol. IUPAC: 2-benzoyl-1-[(3,4-dimethoxy-2-nitrophenyl)methyl]isoquinoline-1-carbonitrile.
Chemical Property Profile of 2-Benzoyl-1-[(3,4-dimethoxy-2-nitrophenyl)methyl]isoquinoline-1-carbonitrile
Property Insights of 2-Benzoyl-1-[(3,4-dimethoxy-2-nitrophenyl)methyl]isoquinoline-1-carbonitrile
The XLogP value of 4.5 indicates that 2-Benzoyl-1-[(3,4-dimethoxy-2-nitrophenyl)methyl]isoquinoline-1-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzoyl-1-[(3,4-dimethoxy-2-nitrophenyl)methyl]isoquinoline-1-carbonitrile. Following Lipinski's Rule of Five, 2-Benzoyl-1-[(3,4-dimethoxy-2-nitrophenyl)methyl]isoquinoline-1-carbonitrile has 0 hydrogen bond donor(s) and 6 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 2-Benzoyl-1-[(3,4-dimethoxy-2-nitrophenyl)methyl]isoquinoline-1-carbonitrile?
The CAS number of 2-Benzoyl-1-[(3,4-dimethoxy-2-nitrophenyl)methyl]isoquinoline-1-carbonitrile is 33130-17-5.
What is the molecular formula of 2-Benzoyl-1-[(3,4-dimethoxy-2-nitrophenyl)methyl]isoquinoline-1-carbonitrile?
The molecular formula of 2-Benzoyl-1-[(3,4-dimethoxy-2-nitrophenyl)methyl]isoquinoline-1-carbonitrile is C26H21N3O5.
What is the molecular weight of 2-Benzoyl-1-[(3,4-dimethoxy-2-nitrophenyl)methyl]isoquinoline-1-carbonitrile?
The molecular weight of 2-Benzoyl-1-[(3,4-dimethoxy-2-nitrophenyl)methyl]isoquinoline-1-carbonitrile is 455.15 g/mol.
Where can I buy 2-Benzoyl-1-[(3,4-dimethoxy-2-nitrophenyl)methyl]isoquinoline-1-carbonitrile?
You can request a quote for 2-Benzoyl-1-[(3,4-dimethoxy-2-nitrophenyl)methyl]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 2-Benzoyl-1-[(3,4-dimethoxy-2-nitrophenyl)methyl]isoquinoline-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoyl-1-[(3,4-dimethoxy-2-nitrophenyl)methyl]isoquinoline-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.