Acetonitrile oxide
TL;DR: Acetonitrile oxide (CAS 7063-95-8) is a chemical compound with molecular formula C2H3NO and molecular weight 57.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetonitrile oxide
Also Known As: acetonitrile oxide, N-oxidoethanimine, CH3CNO, ethylidyneazane oxide, Ethanenitrile oxide
| Molecular Formula | C2H3NO |
|---|---|
| Molecular Weight | 57.02 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 57.021465 |
| Heavy Atoms | 4 |
| Complexity | 54.0 |
Chemical Identifiers
| CAS Number | 7063-95-8 |
|---|---|
| SMILES | CC#[N+][O-] |
| InChIKey | PFCUZDIEKKTHCH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetonitrile oxide (CAS 7063-95-8), with molecular formula C2H3NO and molecular weight 57.02 g/mol. IUPAC: acetonitrile oxide.
Chemical Property Profile of Acetonitrile oxide
Property Insights of Acetonitrile oxide
The XLogP value of -0.6 indicates that Acetonitrile oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, Acetonitrile oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetonitrile oxide has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetonitrile oxide?
The CAS number of Acetonitrile oxide is 7063-95-8.
What is the molecular formula of Acetonitrile oxide?
The molecular formula of Acetonitrile oxide is C2H3NO.
What is the molecular weight of Acetonitrile oxide?
The molecular weight of Acetonitrile oxide is 57.02 g/mol.
Where can I buy Acetonitrile oxide?
You can request a quote for Acetonitrile oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetonitrile oxide?
Yes, KEHONG BIO provides custom synthesis services for Acetonitrile oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.