2-(1,3-Dioxoindan-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile
TL;DR: 2-(1,3-Dioxoindan-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile (CAS 1023874-78-3) is a chemical compound with molecular formula C16H13NO3 and molecular weight 267.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,3-dioxoinden-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile
Also Known As: 2-(1,3-DIOXOINDAN-2-YLIDENE)-4,4-DIMETHYL-3-OXOPENTANENITRILE, 2-(1,3-dioxoinden-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile, 2-(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile, 2-(1,3-dioxoindan-2-ylidene)-4,4-dimethyl-3-oxo-pentanenitrile, 2-(1,3-dioxoinden-2-ylidene)-4,4-dimethyl-3-oxo-pentanenitrile
Technical Specifications
| Molecular Formula | C16H13NO3 |
| Molecular Weight | 267.08954 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 75.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.08954 Da |
| Heavy Atoms | 20 |
| Complexity | 542.0 |
| SMILES | CC(C)(C)C(=O)C(=C1C(=O)C2=CC=CC=C2C1=O)C#N |
| InChIKey | KTEFXGGXUWVDMG-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1,3-Dioxoindan-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile
Property Insights of 2-(1,3-Dioxoindan-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Dioxoindan-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile. The TPSA of 75.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Dioxoindan-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile. Following Lipinski's Rule of Five, 2-(1,3-Dioxoindan-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile 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
What is the CAS number of 2-(1,3-Dioxoindan-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile?
The CAS number of 2-(1,3-Dioxoindan-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile is 1023874-78-3.
What is the molecular formula of 2-(1,3-Dioxoindan-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile?
The molecular formula of 2-(1,3-Dioxoindan-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile is C16H13NO3.
What is the molecular weight of 2-(1,3-Dioxoindan-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile?
The molecular weight of 2-(1,3-Dioxoindan-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile is 267.08954 g/mol.
Where can I buy 2-(1,3-Dioxoindan-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile?
You can request a quote for 2-(1,3-Dioxoindan-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1,3-Dioxoindan-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile?
Yes, CoreyChem provides custom synthesis services for 2-(1,3-Dioxoindan-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.