(Acetyloxy)acetonitrile
TL;DR: (Acetyloxy)acetonitrile (CAS 1001-55-4) is a chemical compound with molecular formula C4H5NO2 and molecular weight 99.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyanomethyl acetate
Also Known As: Cyanomethyl acetate, Acetoxyacetonitrile, cyanomethylacetate, Acetic acid cyanomethyl ester, 2-Acetoxyacetonitrile
| Molecular Formula | C4H5NO2 |
|---|---|
| Molecular Weight | 99.03 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 99.03203 |
| Heavy Atoms | 7 |
| Complexity | 110.0 |
| Vapor Pressure | 0.36 [mmHg] |
Chemical Identifiers
| CAS Number | 1001-55-4 |
|---|---|
| SMILES | CC(=O)OCC#N |
| InChIKey | AJEHNBIPLQJTNU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(Acetyloxy)acetonitrile (CAS 1001-55-4), with molecular formula C4H5NO2 and molecular weight 99.03 g/mol. IUPAC: cyanomethyl acetate.
Chemical Property Profile of (Acetyloxy)acetonitrile
Property Insights of (Acetyloxy)acetonitrile
The XLogP value of -0.1 indicates that (Acetyloxy)acetonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.1 Ų, (Acetyloxy)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Acetyloxy)acetonitrile 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
Frequently Asked Questions
What is the CAS number of (Acetyloxy)acetonitrile?
The CAS number of (Acetyloxy)acetonitrile is 1001-55-4.
What is the molecular formula of (Acetyloxy)acetonitrile?
The molecular formula of (Acetyloxy)acetonitrile is C4H5NO2.
What is the molecular weight of (Acetyloxy)acetonitrile?
The molecular weight of (Acetyloxy)acetonitrile is 99.03 g/mol.
Where can I buy (Acetyloxy)acetonitrile?
You can request a quote for (Acetyloxy)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Acetyloxy)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (Acetyloxy)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.