![2-[5-(Cyanomethyl)-1,4-dioxan-2-yl]acetonitrile structure](/static/products/7497/7497-48-5.webp)
2-[5-(Cyanomethyl)-1,4-dioxan-2-yl]acetonitrile
TL;DR: 2-[5-(Cyanomethyl)-1,4-dioxan-2-yl]acetonitrile (CAS 7497-48-5) is a chemical compound with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(cyanomethyl)-1,4-dioxan-2-yl]acetonitrile
Also Known As: 1,4-Dioxane-2,5-diacetonitrile, 2-[5-(cyanomethyl)-1,4-dioxan-2-yl]acetonitrile, 2,2'-(1,4-Dioxane-2,5-diyl)diacetonitrile
| Molecular Formula | C8H10N2O2 |
|---|---|
| Molecular Weight | 166.07 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.07423 |
| Heavy Atoms | 12 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 7497-48-5 |
|---|---|
| SMILES | C1C(OCC(O1)CC#N)CC#N |
| InChIKey | OAEIBLHVFXJYQA-UHFFFAOYSA-N |
Product Overview
2-[5-(Cyanomethyl)-1,4-dioxan-2-yl]acetonitrile (CAS 7497-48-5), with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol. IUPAC: 2-[5-(cyanomethyl)-1,4-dioxan-2-yl]acetonitrile.
Chemical Property Profile of 2-[5-(Cyanomethyl)-1,4-dioxan-2-yl]acetonitrile
Property Insights of 2-[5-(Cyanomethyl)-1,4-dioxan-2-yl]acetonitrile
The XLogP value of -0.8 indicates that 2-[5-(Cyanomethyl)-1,4-dioxan-2-yl]acetonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-(Cyanomethyl)-1,4-dioxan-2-yl]acetonitrile. Following Lipinski's Rule of Five, 2-[5-(Cyanomethyl)-1,4-dioxan-2-yl]acetonitrile 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 2-[5-(Cyanomethyl)-1,4-dioxan-2-yl]acetonitrile?
The CAS number of 2-[5-(Cyanomethyl)-1,4-dioxan-2-yl]acetonitrile is 7497-48-5.
What is the molecular formula of 2-[5-(Cyanomethyl)-1,4-dioxan-2-yl]acetonitrile?
The molecular formula of 2-[5-(Cyanomethyl)-1,4-dioxan-2-yl]acetonitrile is C8H10N2O2.
What is the molecular weight of 2-[5-(Cyanomethyl)-1,4-dioxan-2-yl]acetonitrile?
The molecular weight of 2-[5-(Cyanomethyl)-1,4-dioxan-2-yl]acetonitrile is 166.07 g/mol.
Where can I buy 2-[5-(Cyanomethyl)-1,4-dioxan-2-yl]acetonitrile?
You can request a quote for 2-[5-(Cyanomethyl)-1,4-dioxan-2-yl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-(Cyanomethyl)-1,4-dioxan-2-yl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-(Cyanomethyl)-1,4-dioxan-2-yl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.