乙醯氰
TL;DR: 乙醯氰 (CAS 631-57-2) is a chemical compound with molecular formula C3H3NO and molecular weight 69.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙醯氰
acetyl cyanide
Also Known As: Pyruvonitrile, Acetyl cyanide, Oxopropionitrile, 2-Oxopropiononitrile, 2-Oxopropionitrile
| Molecular Formula | C3H3NO |
|---|---|
| Molecular Weight | 69.02 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 69.02146 |
| Heavy Atoms | 5 |
| Complexity | 86.0 |
Chemical Identifiers
| CAS Number | 631-57-2 |
|---|---|
| SMILES | CC(=O)C#N |
| InChIKey | QLDHWVVRQCGZLE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙醯氰 (CAS 631-57-2), with molecular formula C3H3NO and molecular weight 69.02 g/mol. IUPAC: acetyl cyanide.
Chemical Property Profile of 乙醯氰
Property Insights of 乙醯氰
The XLogP value of -0.1 indicates that 乙醯氰 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.9 Ų, 乙醯氰 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙醯氰 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
Frequently Asked Questions
What is the CAS number of 乙醯氰?
The CAS number of 乙醯氰 is 631-57-2.
What is the molecular formula of 乙醯氰?
The molecular formula of 乙醯氰 is C3H3NO.
What is the molecular weight of 乙醯氰?
The molecular weight of 乙醯氰 is 69.02 g/mol.
Where can I buy 乙醯氰?
You can request a quote for 乙醯氰 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙醯氰?
Yes, KEHONG BIO provides custom synthesis services for 乙醯氰 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.