![4-[(1,3-Dioxoisoindol-2-yl)amino]-3-nitrobenzonitrile structure](/static/products/3534/353466-70-3.webp)
4-[(1,3-Dioxoisoindol-2-yl)amino]-3-nitrobenzonitrile
TL;DR: 4-[(1,3-Dioxoisoindol-2-yl)amino]-3-nitrobenzonitrile (CAS 353466-70-3) is a chemical compound with molecular formula C15H8N4O4 and molecular weight 308.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1,3-dioxoisoindol-2-yl)amino]-3-nitrobenzonitrile
Also Known As: 4-[(1,3-dioxoisoindol-2-yl)amino]-3-nitrobenzonitrile, UPCMLD0ENAT0513-3893:001, 4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)amino]-3-nitrobenzonitrile, 4-((1,3-dioxoisoindolin-2-yl)amino)-3-nitrobenzonitrile
| Molecular Formula | C15H8N4O4 |
|---|---|
| Molecular Weight | 308.05 g/mol |
| LogP | 2.08958 |
| Topological Polar Surface Area | 116.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.05457 |
| Heavy Atoms | 23 |
| Complexity | 865.59015 |
Chemical Identifiers
| CAS Number | 353466-70-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)NC3=C(C=C(C=C3)C#N)[N+](=O)[O-] |
Product Overview
4-[(1,3-Dioxoisoindol-2-yl)amino]-3-nitrobenzonitrile (CAS 353466-70-3), with molecular formula C15H8N4O4 and molecular weight 308.05 g/mol. IUPAC: 4-[(1,3-dioxoisoindol-2-yl)amino]-3-nitrobenzonitrile.
Chemical Property Profile of 4-[(1,3-Dioxoisoindol-2-yl)amino]-3-nitrobenzonitrile
Property Insights of 4-[(1,3-Dioxoisoindol-2-yl)amino]-3-nitrobenzonitrile
The XLogP value of 2.08958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(1,3-Dioxoisoindol-2-yl)amino]-3-nitrobenzonitrile. The TPSA of 116.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1,3-Dioxoisoindol-2-yl)amino]-3-nitrobenzonitrile. Following Lipinski's Rule of Five, 4-[(1,3-Dioxoisoindol-2-yl)amino]-3-nitrobenzonitrile has 1 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 4-[(1,3-Dioxoisoindol-2-yl)amino]-3-nitrobenzonitrile?
The CAS number of 4-[(1,3-Dioxoisoindol-2-yl)amino]-3-nitrobenzonitrile is 353466-70-3.
What is the molecular formula of 4-[(1,3-Dioxoisoindol-2-yl)amino]-3-nitrobenzonitrile?
The molecular formula of 4-[(1,3-Dioxoisoindol-2-yl)amino]-3-nitrobenzonitrile is C15H8N4O4.
What is the molecular weight of 4-[(1,3-Dioxoisoindol-2-yl)amino]-3-nitrobenzonitrile?
The molecular weight of 4-[(1,3-Dioxoisoindol-2-yl)amino]-3-nitrobenzonitrile is 308.05 g/mol.
Where can I buy 4-[(1,3-Dioxoisoindol-2-yl)amino]-3-nitrobenzonitrile?
You can request a quote for 4-[(1,3-Dioxoisoindol-2-yl)amino]-3-nitrobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(1,3-Dioxoisoindol-2-yl)amino]-3-nitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1,3-Dioxoisoindol-2-yl)amino]-3-nitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.