丙酰氰
TL;DR: 丙酰氰 (CAS 4390-78-7) is a chemical compound with molecular formula C4H5NO and molecular weight 83.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙酰氰
propanoyl cyanide
Also Known As: propionyl cyanide, 2-Oxobutanenitrile, 2-oxo-butyronitrile, propanoyl cyanide, Propionylcyanid
| Molecular Formula | C4H5NO |
|---|---|
| Molecular Weight | 83.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 83.03712 |
| Heavy Atoms | 6 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 4390-78-7 |
|---|---|
| SMILES | CCC(=O)C#N |
| InChIKey | JQLHQBWQAFDAGK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙酰氰 (CAS 4390-78-7), with molecular formula C4H5NO and molecular weight 83.04 g/mol. IUPAC: propanoyl cyanide.
Chemical Property Profile of 丙酰氰
Property Insights of 丙酰氰
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丙酰氰. With a topological polar surface area (TPSA) of 40.9 Ų, 丙酰氰 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙酰氰 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 丙酰氰?
The CAS number of 丙酰氰 is 4390-78-7.
What is the molecular formula of 丙酰氰?
The molecular formula of 丙酰氰 is C4H5NO.
What is the molecular weight of 丙酰氰?
The molecular weight of 丙酰氰 is 83.04 g/mol.
Where can I buy 丙酰氰?
You can request a quote for 丙酰氰 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙酰氰?
Yes, KEHONG BIO provides custom synthesis services for 丙酰氰 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.