1-Ethoxy-2-isocyanoethane
TL;DR: 1-Ethoxy-2-isocyanoethane (CAS 113790-15-1) is a chemical compound with molecular formula C5H9NO and molecular weight 99.06841 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-ethoxy-2-isocyanoethane
Also Known As: 1-ethoxy-2-isocyanoethane, TOS-BB-0842
Technical Specifications
| Molecular Formula | C5H9NO |
| Molecular Weight | 99.06841 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 13.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 99.06841 Da |
| Heavy Atoms | 7 |
| Complexity | 71.0 |
| SMILES | CCOCC[N+]#[C-] |
| InChIKey | QMYVYGTXJJWLLK-UHFFFAOYSA-N |
Chemical Property Profile of 1-Ethoxy-2-isocyanoethane
Property Insights of 1-Ethoxy-2-isocyanoethane
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethoxy-2-isocyanoethane. With a topological polar surface area (TPSA) of 13.6 Ų, 1-Ethoxy-2-isocyanoethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethoxy-2-isocyanoethane 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 1-Ethoxy-2-isocyanoethane?
The CAS number of 1-Ethoxy-2-isocyanoethane is 113790-15-1.
What is the molecular formula of 1-Ethoxy-2-isocyanoethane?
The molecular formula of 1-Ethoxy-2-isocyanoethane is C5H9NO.
What is the molecular weight of 1-Ethoxy-2-isocyanoethane?
The molecular weight of 1-Ethoxy-2-isocyanoethane is 99.06841 g/mol.
Where can I buy 1-Ethoxy-2-isocyanoethane?
You can request a quote for 1-Ethoxy-2-isocyanoethane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Ethoxy-2-isocyanoethane?
Yes, CoreyChem provides custom synthesis services for 1-Ethoxy-2-isocyanoethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.