2-Furoylacetonitrile
TL;DR: 2-Furoylacetonitrile (CAS 31909-58-7) is a chemical compound with molecular formula C7H5NO2 and molecular weight 135.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-yl)-3-oxopropanenitrile
Also Known As: 2-Furoylacetonitrile, 3-(furan-2-yl)-3-oxopropanenitrile, 2-cyanoacetylfuran, 3-(2-furyl)-3-oxopropanenitrile, 2-furanoylacetonitrile
| Molecular Formula | C7H5NO2 |
|---|---|
| Molecular Weight | 135.03 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 135.03203 |
| Heavy Atoms | 10 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 31909-58-7 |
|---|---|
| SMILES | C1=COC(=C1)C(=O)CC#N |
| InChIKey | RZNSHBXVTAHWPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Furoylacetonitrile (CAS 31909-58-7), with molecular formula C7H5NO2 and molecular weight 135.03 g/mol. IUPAC: 3-(furan-2-yl)-3-oxopropanenitrile.
Chemical Property Profile of 2-Furoylacetonitrile
Property Insights of 2-Furoylacetonitrile
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Furoylacetonitrile. With a topological polar surface area (TPSA) of 54.0 Ų, 2-Furoylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Furoylacetonitrile 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 2-Furoylacetonitrile?
The CAS number of 2-Furoylacetonitrile is 31909-58-7.
What is the molecular formula of 2-Furoylacetonitrile?
The molecular formula of 2-Furoylacetonitrile is C7H5NO2.
What is the molecular weight of 2-Furoylacetonitrile?
The molecular weight of 2-Furoylacetonitrile is 135.03 g/mol.
Where can I buy 2-Furoylacetonitrile?
You can request a quote for 2-Furoylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Furoylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Furoylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.