1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-(2-pyridinyl)ethyl)-
TL;DR: 1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-(2-pyridinyl)ethyl)- (CAS 94887-57-7) is a chemical compound with molecular formula C19H13N3O4 and molecular weight 347.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-2-(2-pyridin-2-ylethyl)benzo[de]isoquinoline-1,3-dione
Also Known As: 1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-(2-pyridinyl)ethyl)-, 6-nitro-2-(2-pyridin-2-ylethyl)benzo[de]isoquinoline-1,3-dione, 6-nitro-2-[2-(2-pyridyl)ethyl]-2,3-dihydro-1H-benzo[de]isoquinoline-1,3-dione, 6-nitro-2-[2-(2-pyridyl)ethyl]benzo[de]isoquinoline-1,3-dione, 6-Nitro-2-[2-(2-pyridinyl)ethyl]-1H-benz[de]isoquinoline-1,3(2H)-dione
| Molecular Formula | C19H13N3O4 |
|---|---|
| Molecular Weight | 347.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 96.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.0906 |
| Heavy Atoms | 26 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 94887-57-7 |
|---|---|
| SMILES | C1=CC=NC(=C1)CCN2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O |
| InChIKey | RCSNCWRAIKOGEW-UHFFFAOYSA-N |
Product Overview
1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-(2-pyridinyl)ethyl)- (CAS 94887-57-7), with molecular formula C19H13N3O4 and molecular weight 347.09 g/mol. IUPAC: 6-nitro-2-(2-pyridin-2-ylethyl)benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of 1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-(2-pyridinyl)ethyl)-
Property Insights of 1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-(2-pyridinyl)ethyl)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-(2-pyridinyl)ethyl)-. The TPSA of 96.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-(2-pyridinyl)ethyl)-. Following Lipinski's Rule of Five, 1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-(2-pyridinyl)ethyl)- 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 1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-(2-pyridinyl)ethyl)-?
The CAS number of 1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-(2-pyridinyl)ethyl)- is 94887-57-7.
What is the molecular formula of 1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-(2-pyridinyl)ethyl)-?
The molecular formula of 1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-(2-pyridinyl)ethyl)- is C19H13N3O4.
What is the molecular weight of 1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-(2-pyridinyl)ethyl)-?
The molecular weight of 1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-(2-pyridinyl)ethyl)- is 347.09 g/mol.
Where can I buy 1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-(2-pyridinyl)ethyl)-?
You can request a quote for 1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-(2-pyridinyl)ethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-(2-pyridinyl)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-(2-pyridinyl)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.