1-(4-Isocyanophenyl)ethanone
TL;DR: 1-(4-Isocyanophenyl)ethanone (CAS 125192-28-1) is a chemical compound with molecular formula C9H7NO and molecular weight 145.05276 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-isocyanophenyl)ethanone
Also Known As: 1-(4-isocyanophenyl)ethanone, 4-Isocyanoacetophenone, 4-acetylbenzeneisonitrile, 4 -Isocyanoacetophenone, 1-(4-isocyanophenyl)ethan-1-one
Technical Specifications
| Molecular Formula | C9H7NO |
| Molecular Weight | 145.05276 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 21.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 145.05276 Da |
| Heavy Atoms | 11 |
| Complexity | 193.0 |
| SMILES | CC(=O)C1=CC=C(C=C1)[N+]#[C-] |
| InChIKey | HFXQIIKTWJEFDJ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Isocyanophenyl)ethanone
Property Insights of 1-(4-Isocyanophenyl)ethanone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Isocyanophenyl)ethanone. With a topological polar surface area (TPSA) of 21.4 Ų, 1-(4-Isocyanophenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Isocyanophenyl)ethanone 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-(4-Isocyanophenyl)ethanone?
The CAS number of 1-(4-Isocyanophenyl)ethanone is 125192-28-1.
What is the molecular formula of 1-(4-Isocyanophenyl)ethanone?
The molecular formula of 1-(4-Isocyanophenyl)ethanone is C9H7NO.
What is the molecular weight of 1-(4-Isocyanophenyl)ethanone?
The molecular weight of 1-(4-Isocyanophenyl)ethanone is 145.05276 g/mol.
Where can I buy 1-(4-Isocyanophenyl)ethanone?
You can request a quote for 1-(4-Isocyanophenyl)ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Isocyanophenyl)ethanone?
Yes, CoreyChem provides custom synthesis services for 1-(4-Isocyanophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.