1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-(1-pyrrolidinyl)ethyl)-
TL;DR: 1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-(1-pyrrolidinyl)ethyl)- (CAS 88145-15-7) is a chemical compound with molecular formula C18H17N3O4 and molecular weight 339.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione
Also Known As: 1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-(1-pyrrolidinyl)ethyl)-, 6-nitro-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione, 6-nitro-2-[2-(pyrrolidin-1-yl)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
| Molecular Formula | C18H17N3O4 |
|---|---|
| Molecular Weight | 339.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 86.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.12192 |
| Heavy Atoms | 25 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 88145-15-7 |
|---|---|
| SMILES | C1CCN(C1)CCN2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O |
| InChIKey | HGPWMFQARAISAD-UHFFFAOYSA-N |
Product Overview
1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-(1-pyrrolidinyl)ethyl)- (CAS 88145-15-7), with molecular formula C18H17N3O4 and molecular weight 339.12 g/mol. IUPAC: 6-nitro-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of 1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-(1-pyrrolidinyl)ethyl)-
Property Insights of 1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-(1-pyrrolidinyl)ethyl)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-(1-pyrrolidinyl)ethyl)-. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-(1-pyrrolidinyl)ethyl)-. Following Lipinski's Rule of Five, 1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-(1-pyrrolidinyl)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-(1-pyrrolidinyl)ethyl)-?
The CAS number of 1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-(1-pyrrolidinyl)ethyl)- is 88145-15-7.
What is the molecular formula of 1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-(1-pyrrolidinyl)ethyl)-?
The molecular formula of 1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-(1-pyrrolidinyl)ethyl)- is C18H17N3O4.
What is the molecular weight of 1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-(1-pyrrolidinyl)ethyl)-?
The molecular weight of 1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-(1-pyrrolidinyl)ethyl)- is 339.12 g/mol.
Where can I buy 1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-(1-pyrrolidinyl)ethyl)-?
You can request a quote for 1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-(1-pyrrolidinyl)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-(1-pyrrolidinyl)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-(1-pyrrolidinyl)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.