![4-[(5-Formyl-2-furyl)methoxy]benzonitrile structure](/static/products/4382/438221-44-4.webp)
4-[(5-Formyl-2-furyl)methoxy]benzonitrile
TL;DR: 4-[(5-Formyl-2-furyl)methoxy]benzonitrile (CAS 438221-44-4) is a chemical compound with molecular formula C13H9NO3 and molecular weight 227.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-formylfuran-2-yl)methoxy]benzonitrile
Also Known As: 4-[(5-formyl-2-furyl)methoxy]benzonitrile, 4-[(5-formylfuran-2-yl)methoxy]benzonitrile, 4-((5-Formylfuran-2-yl)methoxy)benzonitrile, 4-[(5-formyl-2-furyl)methoxy]benzenecarbonitrile
| Molecular Formula | C13H9NO3 |
|---|---|
| Molecular Weight | 227.06 g/mol |
| LogP | 2.54278 |
| Topological Polar Surface Area | 63.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.05824 |
| Heavy Atoms | 17 |
| Complexity | 548.7887 |
Chemical Identifiers
| CAS Number | 438221-44-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)OCC2=CC=C(O2)C=O |
Product Overview
4-[(5-Formyl-2-furyl)methoxy]benzonitrile (CAS 438221-44-4), with molecular formula C13H9NO3 and molecular weight 227.06 g/mol. IUPAC: 4-[(5-formylfuran-2-yl)methoxy]benzonitrile.
Chemical Property Profile of 4-[(5-Formyl-2-furyl)methoxy]benzonitrile
Property Insights of 4-[(5-Formyl-2-furyl)methoxy]benzonitrile
The XLogP value of 2.54278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(5-Formyl-2-furyl)methoxy]benzonitrile. The TPSA of 63.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(5-Formyl-2-furyl)methoxy]benzonitrile. Following Lipinski's Rule of Five, 4-[(5-Formyl-2-furyl)methoxy]benzonitrile 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 4-[(5-Formyl-2-furyl)methoxy]benzonitrile?
The CAS number of 4-[(5-Formyl-2-furyl)methoxy]benzonitrile is 438221-44-4.
What is the molecular formula of 4-[(5-Formyl-2-furyl)methoxy]benzonitrile?
The molecular formula of 4-[(5-Formyl-2-furyl)methoxy]benzonitrile is C13H9NO3.
What is the molecular weight of 4-[(5-Formyl-2-furyl)methoxy]benzonitrile?
The molecular weight of 4-[(5-Formyl-2-furyl)methoxy]benzonitrile is 227.06 g/mol.
Where can I buy 4-[(5-Formyl-2-furyl)methoxy]benzonitrile?
You can request a quote for 4-[(5-Formyl-2-furyl)methoxy]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(5-Formyl-2-furyl)methoxy]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(5-Formyl-2-furyl)methoxy]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.