2,4-dicyano-N,N-diisopropyl-cubane-1-carboxamide
TL;DR: 2,4-dicyano-N,N-diisopropyl-cubane-1-carboxamide (CAS 122357-97-5) is a chemical compound with molecular formula C17H19N3O and molecular weight 281.1528 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dicyano-N,N-di(propan-2-yl)cubane-1-carboxamide
Also Known As: NCI60_013638, 2,4-Dicyano-N,N-diisopropyl-1-cubanecarboxamide, 2,4-dicyano-N,N-diisopropyl-cubane-1-carboxamide, 2,4-dicyano-N,N-di(propan-2-yl)cubane-1-carboxamide, 2,4-Dicyano-N,N-bis(1-methylethyl)pentacyclo[4.2.0.02,5.03,8.04,7]octane-1-carboxamide
Technical Specifications
| Molecular Formula | C17H19N3O |
| Molecular Weight | 281.1528 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 67.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.1528 Da |
| Heavy Atoms | 21 |
| Complexity | 689.0 |
| SMILES | CC(C)N(C(C)C)C(=O)C12C3C4C1C5C4(C3C25C#N)C#N |
| InChIKey | JKMMPESTJKFHEJ-UHFFFAOYSA-N |
Chemical Property Profile of 2,4-dicyano-N,N-diisopropyl-cubane-1-carboxamide
Property Insights of 2,4-dicyano-N,N-diisopropyl-cubane-1-carboxamide
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-dicyano-N,N-diisopropyl-cubane-1-carboxamide. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-dicyano-N,N-diisopropyl-cubane-1-carboxamide. Following Lipinski's Rule of Five, 2,4-dicyano-N,N-diisopropyl-cubane-1-carboxamide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,4-dicyano-N,N-diisopropyl-cubane-1-carboxamide?
The CAS number of 2,4-dicyano-N,N-diisopropyl-cubane-1-carboxamide is 122357-97-5.
What is the molecular formula of 2,4-dicyano-N,N-diisopropyl-cubane-1-carboxamide?
The molecular formula of 2,4-dicyano-N,N-diisopropyl-cubane-1-carboxamide is C17H19N3O.
What is the molecular weight of 2,4-dicyano-N,N-diisopropyl-cubane-1-carboxamide?
The molecular weight of 2,4-dicyano-N,N-diisopropyl-cubane-1-carboxamide is 281.1528 g/mol.
Where can I buy 2,4-dicyano-N,N-diisopropyl-cubane-1-carboxamide?
You can request a quote for 2,4-dicyano-N,N-diisopropyl-cubane-1-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4-dicyano-N,N-diisopropyl-cubane-1-carboxamide?
Yes, CoreyChem provides custom synthesis services for 2,4-dicyano-N,N-diisopropyl-cubane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.