1h-Benz(de)isoquinoline-1,3(2h)-dione, 2-(3-(dimethylamino)propyl)-6-nitro-
TL;DR: 1h-Benz(de)isoquinoline-1,3(2h)-dione, 2-(3-(dimethylamino)propyl)-6-nitro- (CAS 92078-85-8) is a chemical compound with molecular formula C17H17N3O4 and molecular weight 327.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(dimethylamino)propyl]-6-nitrobenzo[de]isoquinoline-1,3-dione
Also Known As: 1h-benz(de)isoquinoline-1,3(2h)-dione, 2-(3-(dimethylamino)propyl)-6-nitro-, 2-[3-(dimethylamino)propyl]-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione, AE-848/30726008, 2-[3-(dimethylamino)propyl]-6-nitrobenzo[de]isoquinoline-1,3-dione, N-(3-Dimethylamino-propyl)-4-nitro-1,8-naphthalimide
| Molecular Formula | C17H17N3O4 |
|---|---|
| Molecular Weight | 327.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 86.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.12192 |
| Heavy Atoms | 24 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 92078-85-8 |
|---|---|
| SMILES | CN(C)CCCN1C(=O)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=C3C1=O |
| InChIKey | HXUICTWMWMKWSJ-UHFFFAOYSA-N |
Product Overview
1h-Benz(de)isoquinoline-1,3(2h)-dione, 2-(3-(dimethylamino)propyl)-6-nitro- (CAS 92078-85-8), with molecular formula C17H17N3O4 and molecular weight 327.12 g/mol. IUPAC: 2-[3-(dimethylamino)propyl]-6-nitrobenzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of 1h-Benz(de)isoquinoline-1,3(2h)-dione, 2-(3-(dimethylamino)propyl)-6-nitro-
Property Insights of 1h-Benz(de)isoquinoline-1,3(2h)-dione, 2-(3-(dimethylamino)propyl)-6-nitro-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1h-Benz(de)isoquinoline-1,3(2h)-dione, 2-(3-(dimethylamino)propyl)-6-nitro-. 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, 2-(3-(dimethylamino)propyl)-6-nitro-. Following Lipinski's Rule of Five, 1h-Benz(de)isoquinoline-1,3(2h)-dione, 2-(3-(dimethylamino)propyl)-6-nitro- 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, 2-(3-(dimethylamino)propyl)-6-nitro-?
The CAS number of 1h-Benz(de)isoquinoline-1,3(2h)-dione, 2-(3-(dimethylamino)propyl)-6-nitro- is 92078-85-8.
What is the molecular formula of 1h-Benz(de)isoquinoline-1,3(2h)-dione, 2-(3-(dimethylamino)propyl)-6-nitro-?
The molecular formula of 1h-Benz(de)isoquinoline-1,3(2h)-dione, 2-(3-(dimethylamino)propyl)-6-nitro- is C17H17N3O4.
What is the molecular weight of 1h-Benz(de)isoquinoline-1,3(2h)-dione, 2-(3-(dimethylamino)propyl)-6-nitro-?
The molecular weight of 1h-Benz(de)isoquinoline-1,3(2h)-dione, 2-(3-(dimethylamino)propyl)-6-nitro- is 327.12 g/mol.
Where can I buy 1h-Benz(de)isoquinoline-1,3(2h)-dione, 2-(3-(dimethylamino)propyl)-6-nitro-?
You can request a quote for 1h-Benz(de)isoquinoline-1,3(2h)-dione, 2-(3-(dimethylamino)propyl)-6-nitro- 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, 2-(3-(dimethylamino)propyl)-6-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1h-Benz(de)isoquinoline-1,3(2h)-dione, 2-(3-(dimethylamino)propyl)-6-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.