2,5-Bis(hexyloxy)benzene-1,4-diacetonitrile
TL;DR: 2,5-Bis(hexyloxy)benzene-1,4-diacetonitrile (CAS 151903-53-6) is a chemical compound with molecular formula C22H32N2O2 and molecular weight 356.24637 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(cyanomethyl)-2,5-dihexoxyphenyl]acetonitrile
Also Known As: 2,5-Bis(hexyloxy)benzene-1,4-diacetonitrile, 2-[4-(cyanomethyl)-2,5-dihexoxyphenyl]acetonitrile, 1,4-Benzenediacetonitrile,2,5-bis(hexyloxy)-, 1,4-Bis(cyanomethyl)-2,5-bis(hexyloxy)benzene, 2,5-Bis(hexyloxy)-1,4-benzenebisacetonitrile
Technical Specifications
| Molecular Formula | C22H32N2O2 |
| Molecular Weight | 356.24637 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 66.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 356.24637 Da |
| Heavy Atoms | 26 |
| Complexity | 406.0 |
| SMILES | CCCCCCOC1=CC(=C(C=C1CC#N)OCCCCCC)CC#N |
| InChIKey | GFPGEWHJZPFZMC-UHFFFAOYSA-N |
Chemical Property Profile of 2,5-Bis(hexyloxy)benzene-1,4-diacetonitrile
Property Insights of 2,5-Bis(hexyloxy)benzene-1,4-diacetonitrile
The XLogP value of 5.8 indicates that 2,5-Bis(hexyloxy)benzene-1,4-diacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Bis(hexyloxy)benzene-1,4-diacetonitrile. Following Lipinski's Rule of Five, 2,5-Bis(hexyloxy)benzene-1,4-diacetonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2,5-Bis(hexyloxy)benzene-1,4-diacetonitrile?
The CAS number of 2,5-Bis(hexyloxy)benzene-1,4-diacetonitrile is 151903-53-6.
What is the molecular formula of 2,5-Bis(hexyloxy)benzene-1,4-diacetonitrile?
The molecular formula of 2,5-Bis(hexyloxy)benzene-1,4-diacetonitrile is C22H32N2O2.
What is the molecular weight of 2,5-Bis(hexyloxy)benzene-1,4-diacetonitrile?
The molecular weight of 2,5-Bis(hexyloxy)benzene-1,4-diacetonitrile is 356.24637 g/mol.
Where can I buy 2,5-Bis(hexyloxy)benzene-1,4-diacetonitrile?
You can request a quote for 2,5-Bis(hexyloxy)benzene-1,4-diacetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,5-Bis(hexyloxy)benzene-1,4-diacetonitrile?
Yes, CoreyChem provides custom synthesis services for 2,5-Bis(hexyloxy)benzene-1,4-diacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.