![4-[(2,5-Dioxo-1-pyrrolidinyl)amino]-3-nitrobenzonitrile structure](/static/products/335/335390-57-3.png)
4-[(2,5-Dioxo-1-pyrrolidinyl)amino]-3-nitrobenzonitrile
TL;DR: 4-[(2,5-Dioxo-1-pyrrolidinyl)amino]-3-nitrobenzonitrile (CAS 335390-57-3) is a chemical compound with molecular formula C11H8N4O4 and molecular weight 260.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,5-dioxopyrrolidin-1-yl)amino]-3-nitrobenzonitrile
Also Known As: BAS 02799601, 4-[(2,5-dioxo-1-pyrrolidinyl)amino]-3-nitrobenzonitrile, 4-[(2,5-dioxopyrrolidin-1-yl)amino]-3-nitrobenzonitrile, 4-(2,5-Dioxo-pyrrolidin-1-ylamino)-3-nitro-benzonitrile
| Molecular Formula | C11H8N4O4 |
|---|---|
| Molecular Weight | 260.05 g/mol |
| LogP | 0.94238 |
| Topological Polar Surface Area | 116.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.05457 |
| Heavy Atoms | 19 |
| Complexity | 603.61145 |
Chemical Identifiers
| CAS Number | 335390-57-3 |
|---|---|
| SMILES | C1CC(=O)N(C1=O)NC2=C(C=C(C=C2)C#N)[N+](=O)[O-] |
Product Overview
4-[(2,5-Dioxo-1-pyrrolidinyl)amino]-3-nitrobenzonitrile (CAS 335390-57-3), with molecular formula C11H8N4O4 and molecular weight 260.05 g/mol. IUPAC: 4-[(2,5-dioxopyrrolidin-1-yl)amino]-3-nitrobenzonitrile.
Chemical Property Profile of 4-[(2,5-Dioxo-1-pyrrolidinyl)amino]-3-nitrobenzonitrile
Property Insights of 4-[(2,5-Dioxo-1-pyrrolidinyl)amino]-3-nitrobenzonitrile
The XLogP value of 0.94238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2,5-Dioxo-1-pyrrolidinyl)amino]-3-nitrobenzonitrile. The TPSA of 116.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2,5-Dioxo-1-pyrrolidinyl)amino]-3-nitrobenzonitrile. Following Lipinski's Rule of Five, 4-[(2,5-Dioxo-1-pyrrolidinyl)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-[(2,5-Dioxo-1-pyrrolidinyl)amino]-3-nitrobenzonitrile?
The CAS number of 4-[(2,5-Dioxo-1-pyrrolidinyl)amino]-3-nitrobenzonitrile is 335390-57-3.
What is the molecular formula of 4-[(2,5-Dioxo-1-pyrrolidinyl)amino]-3-nitrobenzonitrile?
The molecular formula of 4-[(2,5-Dioxo-1-pyrrolidinyl)amino]-3-nitrobenzonitrile is C11H8N4O4.
What is the molecular weight of 4-[(2,5-Dioxo-1-pyrrolidinyl)amino]-3-nitrobenzonitrile?
The molecular weight of 4-[(2,5-Dioxo-1-pyrrolidinyl)amino]-3-nitrobenzonitrile is 260.05 g/mol.
Where can I buy 4-[(2,5-Dioxo-1-pyrrolidinyl)amino]-3-nitrobenzonitrile?
You can request a quote for 4-[(2,5-Dioxo-1-pyrrolidinyl)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-[(2,5-Dioxo-1-pyrrolidinyl)amino]-3-nitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2,5-Dioxo-1-pyrrolidinyl)amino]-3-nitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.