Malononitrile, (o-nitrobenzylidene)-
TL;DR: Malononitrile, (o-nitrobenzylidene)- (CAS 2826-30-4) is a chemical compound with molecular formula C10H5N3O2 and molecular weight 199.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-nitrophenyl)methylidene]propanedinitrile
Also Known As: (2-Nitrobenzylidene)malononitrile, 2-Nitrobenzalmalononitrile, o-Nitro-benzalmalonitril, 2-(2-Nitrobenzylidene)malononitrile, 2-[(2-nitrophenyl)methylidene]propanedinitrile
| Molecular Formula | C10H5N3O2 |
|---|---|
| Molecular Weight | 199.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.03818 |
| Heavy Atoms | 15 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 2826-30-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=C(C#N)C#N)[N+](=O)[O-] |
| InChIKey | QGESGQINLPXOJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Malononitrile, (o-nitrobenzylidene)- (CAS 2826-30-4), with molecular formula C10H5N3O2 and molecular weight 199.04 g/mol. IUPAC: 2-[(2-nitrophenyl)methylidene]propanedinitrile.
Chemical Property Profile of Malononitrile, (o-nitrobenzylidene)-
Property Insights of Malononitrile, (o-nitrobenzylidene)-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Malononitrile, (o-nitrobenzylidene)-. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Malononitrile, (o-nitrobenzylidene)-. Following Lipinski's Rule of Five, Malononitrile, (o-nitrobenzylidene)- has 0 hydrogen bond donor(s) and 4 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 Malononitrile, (o-nitrobenzylidene)-?
The CAS number of Malononitrile, (o-nitrobenzylidene)- is 2826-30-4.
What is the molecular formula of Malononitrile, (o-nitrobenzylidene)-?
The molecular formula of Malononitrile, (o-nitrobenzylidene)- is C10H5N3O2.
What is the molecular weight of Malononitrile, (o-nitrobenzylidene)-?
The molecular weight of Malononitrile, (o-nitrobenzylidene)- is 199.04 g/mol.
Where can I buy Malononitrile, (o-nitrobenzylidene)-?
You can request a quote for Malononitrile, (o-nitrobenzylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malononitrile, (o-nitrobenzylidene)-?
Yes, KEHONG BIO provides custom synthesis services for Malononitrile, (o-nitrobenzylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.