Isophthalonitrile, 2,4,6-trimethyl-, N,N'-dioxide
TL;DR: Isophthalonitrile, 2,4,6-trimethyl-, N,N'-dioxide (CAS 15138-43-9) is a chemical compound with molecular formula C11H10N2O2 and molecular weight 202.07423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4,6-trimethylbenzene-1,3-dicarbonitrile oxide
Also Known As: 2,4,6-trimethylbenzene-1,3-dicarbonitrile oxide, 2,4,6-Trimethylisophthalonitrile N,N'-dioxide, ISOPHTHALONITRILE, 2,4,6-TRIMETHYL-, N,N'-DIOXIDE, 1, 2,4,6-trimethyl-, N,N'-dioxide, 2,4,6-Trimethyl-1,3-benzenedicarbonitrile oxide
Technical Specifications
| Molecular Formula | C11H10N2O2 |
| Molecular Weight | 202.07423 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 61.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.07423 Da |
| Heavy Atoms | 15 |
| Complexity | 320.0 |
| SMILES | CC1=CC(=C(C(=C1C#[N+][O-])C)C#[N+][O-])C |
| InChIKey | YZHOPEMIKZYPJE-UHFFFAOYSA-N |
Chemical Property Profile of Isophthalonitrile, 2,4,6-trimethyl-, N,N'-dioxide
Property Insights of Isophthalonitrile, 2,4,6-trimethyl-, N,N'-dioxide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isophthalonitrile, 2,4,6-trimethyl-, N,N'-dioxide. The TPSA of 61.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Isophthalonitrile, 2,4,6-trimethyl-, N,N'-dioxide. Following Lipinski's Rule of Five, Isophthalonitrile, 2,4,6-trimethyl-, N,N'-dioxide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isophthalonitrile, 2,4,6-trimethyl-, N,N'-dioxide?
The CAS number of Isophthalonitrile, 2,4,6-trimethyl-, N,N'-dioxide is 15138-43-9.
What is the molecular formula of Isophthalonitrile, 2,4,6-trimethyl-, N,N'-dioxide?
The molecular formula of Isophthalonitrile, 2,4,6-trimethyl-, N,N'-dioxide is C11H10N2O2.
What is the molecular weight of Isophthalonitrile, 2,4,6-trimethyl-, N,N'-dioxide?
The molecular weight of Isophthalonitrile, 2,4,6-trimethyl-, N,N'-dioxide is 202.07423 g/mol.
Where can I buy Isophthalonitrile, 2,4,6-trimethyl-, N,N'-dioxide?
You can request a quote for Isophthalonitrile, 2,4,6-trimethyl-, N,N'-dioxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isophthalonitrile, 2,4,6-trimethyl-, N,N'-dioxide?
Yes, CoreyChem provides custom synthesis services for Isophthalonitrile, 2,4,6-trimethyl-, N,N'-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.