5-Isocyano-1,3-dioxaindane
TL;DR: 5-Isocyano-1,3-dioxaindane (CAS 165459-70-1) is a chemical compound with molecular formula C8H5NO2 and molecular weight 147.03203 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-isocyano-1,3-benzodioxole
Also Known As: 5-isocyano-2H-1,3-benzodioxole, 5-isocyano-1,3-benzodioxole, 5-isocyano-1,3-dioxaindane, 1,3-Benzodioxole,5-isocyano-(9CI), TOS-BB-0805
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H5NO2 |
| Molecular Weight | 147.03203 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 22.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 147.03203 Da |
| Heavy Atoms | 11 |
| Complexity | 196.0 |
| SMILES | [C-]#[N+]C1=CC2=C(C=C1)OCO2 |
| InChIKey | WUKXVUFHYLHUEA-UHFFFAOYSA-N |
Chemical Property Profile of 5-Isocyano-1,3-dioxaindane
Property Insights of 5-Isocyano-1,3-dioxaindane
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Isocyano-1,3-dioxaindane. With a topological polar surface area (TPSA) of 22.8 Ų, 5-Isocyano-1,3-dioxaindane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Isocyano-1,3-dioxaindane 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 5-Isocyano-1,3-dioxaindane?
The CAS number of 5-Isocyano-1,3-dioxaindane is 165459-70-1.
What is the molecular formula of 5-Isocyano-1,3-dioxaindane?
The molecular formula of 5-Isocyano-1,3-dioxaindane is C8H5NO2.
What is the molecular weight of 5-Isocyano-1,3-dioxaindane?
The molecular weight of 5-Isocyano-1,3-dioxaindane is 147.03203 g/mol.
Where can I buy 5-Isocyano-1,3-dioxaindane?
You can request a quote for 5-Isocyano-1,3-dioxaindane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Isocyano-1,3-dioxaindane?
Yes, CoreyChem provides custom synthesis services for 5-Isocyano-1,3-dioxaindane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.