2-(3-Cyano-4-nitrophenyl)-2-methyl-1,3-dioxolane
TL;DR: 2-(3-Cyano-4-nitrophenyl)-2-methyl-1,3-dioxolane (CAS 119983-09-4) is a chemical compound with molecular formula C11H10N2O4 and molecular weight 234.06406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(2-methyl-1,3-dioxolan-2-yl)-2-nitrobenzonitrile
Also Known As: 2-(3-cyano-4-nitrophenyl)-2-methyl-1,3-dioxolane, 5-(2-methyl-1,3-dioxolan-2-yl)-2-nitro-benzonitrile
Technical Specifications
| Molecular Formula | C11H10N2O4 |
| Molecular Weight | 234.06406 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 88.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.06406 Da |
| Heavy Atoms | 17 |
| Complexity | 350.0 |
| SMILES | CC1(OCCO1)C2=CC(=C(C=C2)[N+](=O)[O-])C#N |
| InChIKey | ZWLDWBHSLNIYRN-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3-Cyano-4-nitrophenyl)-2-methyl-1,3-dioxolane
Property Insights of 2-(3-Cyano-4-nitrophenyl)-2-methyl-1,3-dioxolane
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Cyano-4-nitrophenyl)-2-methyl-1,3-dioxolane. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Cyano-4-nitrophenyl)-2-methyl-1,3-dioxolane. Following Lipinski's Rule of Five, 2-(3-Cyano-4-nitrophenyl)-2-methyl-1,3-dioxolane 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
What is the CAS number of 2-(3-Cyano-4-nitrophenyl)-2-methyl-1,3-dioxolane?
The CAS number of 2-(3-Cyano-4-nitrophenyl)-2-methyl-1,3-dioxolane is 119983-09-4.
What is the molecular formula of 2-(3-Cyano-4-nitrophenyl)-2-methyl-1,3-dioxolane?
The molecular formula of 2-(3-Cyano-4-nitrophenyl)-2-methyl-1,3-dioxolane is C11H10N2O4.
What is the molecular weight of 2-(3-Cyano-4-nitrophenyl)-2-methyl-1,3-dioxolane?
The molecular weight of 2-(3-Cyano-4-nitrophenyl)-2-methyl-1,3-dioxolane is 234.06406 g/mol.
Where can I buy 2-(3-Cyano-4-nitrophenyl)-2-methyl-1,3-dioxolane?
You can request a quote for 2-(3-Cyano-4-nitrophenyl)-2-methyl-1,3-dioxolane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3-Cyano-4-nitrophenyl)-2-methyl-1,3-dioxolane?
Yes, CoreyChem provides custom synthesis services for 2-(3-Cyano-4-nitrophenyl)-2-methyl-1,3-dioxolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.