Alpha-cyanofurfuryl acetate
TL;DR: Alpha-cyanofurfuryl acetate (CAS 118317-17-2) is a chemical compound with molecular formula C8H7NO3 and molecular weight 165.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[cyano(furan-2-yl)methyl] acetate
Also Known As: Acetic Acid Cyano-Furan-2-Yl-Methyl Ester, [cyano(furan-2-yl)methyl] acetate, Alpha-cyanofurfuryl acetate, cyano(furan-2-yl)methyl acetate, cyano(2-furyl)methyl acetate
| Molecular Formula | C8H7NO3 |
|---|---|
| Molecular Weight | 165.04 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 165.04259 |
| Heavy Atoms | 12 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 118317-17-2 |
|---|---|
| SMILES | CC(=O)OC(C#N)C1=CC=CO1 |
| InChIKey | CGGSYJJOFDQNJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Alpha-cyanofurfuryl acetate (CAS 118317-17-2), with molecular formula C8H7NO3 and molecular weight 165.04 g/mol. IUPAC: [cyano(furan-2-yl)methyl] acetate.
Chemical Property Profile of Alpha-cyanofurfuryl acetate
Property Insights of Alpha-cyanofurfuryl acetate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alpha-cyanofurfuryl acetate. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Alpha-cyanofurfuryl acetate. Following Lipinski's Rule of Five, Alpha-cyanofurfuryl acetate has 0 hydrogen bond donor(s) and 4 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-cyanofurfuryl acetate?
The CAS number of Alpha-cyanofurfuryl acetate is 118317-17-2.
What is the molecular formula of Alpha-cyanofurfuryl acetate?
The molecular formula of Alpha-cyanofurfuryl acetate is C8H7NO3.
What is the molecular weight of Alpha-cyanofurfuryl acetate?
The molecular weight of Alpha-cyanofurfuryl acetate is 165.04 g/mol.
Where can I buy Alpha-cyanofurfuryl acetate?
You can request a quote for Alpha-cyanofurfuryl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alpha-cyanofurfuryl acetate?
Yes, KEHONG BIO provides custom synthesis services for Alpha-cyanofurfuryl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.