Propenyl isocyanate
TL;DR: Propenyl isocyanate (CAS 112105-09-6) is a chemical compound with molecular formula C4H5NO and molecular weight 83.03712 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-isocyanatoprop-1-ene
Also Known As: Propenyl isocyanate, 1-isocyanatoprop-1-ene, (E)-1-isocyanatoprop-1-ene, 1-Isocyanato-1-propene, (1E)-1-ISOCYANATOPROP-1-ENE
Technical Specifications
| Molecular Formula | C4H5NO |
| Molecular Weight | 83.03712 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 83.03712 Da |
| Heavy Atoms | 6 |
| Complexity | 89.0 |
| SMILES | C/C=C/N=C=O |
| InChIKey | QWBNZGHJDZEJBE-NSCUHMNNSA-N |
Chemical Property Profile of Propenyl isocyanate
Property Insights of Propenyl isocyanate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propenyl isocyanate. With a topological polar surface area (TPSA) of 29.4 Ų, Propenyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propenyl isocyanate 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 Propenyl isocyanate?
The CAS number of Propenyl isocyanate is 112105-09-6.
What is the molecular formula of Propenyl isocyanate?
The molecular formula of Propenyl isocyanate is C4H5NO.
What is the molecular weight of Propenyl isocyanate?
The molecular weight of Propenyl isocyanate is 83.03712 g/mol.
Where can I buy Propenyl isocyanate?
You can request a quote for Propenyl isocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propenyl isocyanate?
Yes, CoreyChem provides custom synthesis services for Propenyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.