Cyanoketene
TL;DR: Cyanoketene (CAS 4452-08-8) is a chemical compound with molecular formula C3HNO and molecular weight 67.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxoprop-2-enenitrile
Also Known As: Cyanoketene, 3-oxoprop-2-enenitrile, 3-Oxopropenenitrile, NCCH=C=O, 2-Propenenitrile,3-oxo- (9CI)
| Molecular Formula | C3HNO |
|---|---|
| Molecular Weight | 67.01 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 67.00581 |
| Heavy Atoms | 5 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 4452-08-8 |
|---|---|
| SMILES | C(=C=O)C#N |
| InChIKey | JVTCKUMKUIZLIA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyanoketene (CAS 4452-08-8), with molecular formula C3HNO and molecular weight 67.01 g/mol. IUPAC: 3-oxoprop-2-enenitrile.
Chemical Property Profile of Cyanoketene
Property Insights of Cyanoketene
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyanoketene. With a topological polar surface area (TPSA) of 40.9 Ų, Cyanoketene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyanoketene 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 Cyanoketene?
The CAS number of Cyanoketene is 4452-08-8.
What is the molecular formula of Cyanoketene?
The molecular formula of Cyanoketene is C3HNO.
What is the molecular weight of Cyanoketene?
The molecular weight of Cyanoketene is 67.01 g/mol.
Where can I buy Cyanoketene?
You can request a quote for Cyanoketene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyanoketene?
Yes, KEHONG BIO provides custom synthesis services for Cyanoketene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.