alpha-Oxo-2-furanacetonitrile
TL;DR: alpha-Oxo-2-furanacetonitrile (CAS 6047-91-2) is a chemical compound with molecular formula C6H3NO2 and molecular weight 121.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
furan-2-carbonyl cyanide
Also Known As: furan-2-carbonyl cyanide, 2-Furoyl cyanide, Furfuroylcyanid, 2-Furanglyoxylonitrile, 2-furoylcyanide
| Molecular Formula | C6H3NO2 |
|---|---|
| Molecular Weight | 121.02 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 121.01638 |
| Heavy Atoms | 9 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 6047-91-2 |
|---|---|
| SMILES | C1=COC(=C1)C(=O)C#N |
| InChIKey | BITJKGFKDMCINV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Oxo-2-furanacetonitrile (CAS 6047-91-2), with molecular formula C6H3NO2 and molecular weight 121.02 g/mol. IUPAC: furan-2-carbonyl cyanide.
Chemical Property Profile of alpha-Oxo-2-furanacetonitrile
Property Insights of alpha-Oxo-2-furanacetonitrile
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Oxo-2-furanacetonitrile. With a topological polar surface area (TPSA) of 54.0 Ų, alpha-Oxo-2-furanacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Oxo-2-furanacetonitrile 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 alpha-Oxo-2-furanacetonitrile?
The CAS number of alpha-Oxo-2-furanacetonitrile is 6047-91-2.
What is the molecular formula of alpha-Oxo-2-furanacetonitrile?
The molecular formula of alpha-Oxo-2-furanacetonitrile is C6H3NO2.
What is the molecular weight of alpha-Oxo-2-furanacetonitrile?
The molecular weight of alpha-Oxo-2-furanacetonitrile is 121.02 g/mol.
Where can I buy alpha-Oxo-2-furanacetonitrile?
You can request a quote for alpha-Oxo-2-furanacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Oxo-2-furanacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for alpha-Oxo-2-furanacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.