2,5-Bis(octyloxy)benzene-1,4-diacetonitrile
TL;DR: 2,5-Bis(octyloxy)benzene-1,4-diacetonitrile (CAS 177281-34-4) is a chemical compound with molecular formula C26H40N2O2 and molecular weight 412.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(cyanomethyl)-2,5-dioctoxyphenyl]acetonitrile
Also Known As: 2,5-Bis(octyloxy)benzene-1,4-diacetonitrile, 2-[4-(cyanomethyl)-2,5-dioctoxyphenyl]acetonitrile, 2,5-dioctyloxy-p-xylylenedinitrile, 1,4-Benzenediacetonitrile,2,5-bis(octyloxy)-, 2 5-BIS(OCTYLOXY)BENZENE-1 4-DIACETONIT&
| Molecular Formula | C26H40N2O2 |
|---|---|
| Molecular Weight | 412.31 g/mol |
| LogP | 7.29736 |
| Topological Polar Surface Area | 66.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 412.309 |
| Heavy Atoms | 30 |
| Complexity | 600.473 |
Chemical Identifiers
| CAS Number | 177281-34-4 |
|---|---|
| SMILES | CCCCCCCCOC1=CC(=C(C=C1CC#N)OCCCCCCCC)CC#N |
Product Overview
2,5-Bis(octyloxy)benzene-1,4-diacetonitrile (CAS 177281-34-4), with molecular formula C26H40N2O2 and molecular weight 412.31 g/mol. IUPAC: 2-[4-(cyanomethyl)-2,5-dioctoxyphenyl]acetonitrile.
Chemical Property Profile of 2,5-Bis(octyloxy)benzene-1,4-diacetonitrile
Property Insights of 2,5-Bis(octyloxy)benzene-1,4-diacetonitrile
The XLogP value of 7.29736 indicates that 2,5-Bis(octyloxy)benzene-1,4-diacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Bis(octyloxy)benzene-1,4-diacetonitrile. Following Lipinski's Rule of Five, 2,5-Bis(octyloxy)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
Frequently Asked Questions
What is the CAS number of 2,5-Bis(octyloxy)benzene-1,4-diacetonitrile?
The CAS number of 2,5-Bis(octyloxy)benzene-1,4-diacetonitrile is 177281-34-4.
What is the molecular formula of 2,5-Bis(octyloxy)benzene-1,4-diacetonitrile?
The molecular formula of 2,5-Bis(octyloxy)benzene-1,4-diacetonitrile is C26H40N2O2.
What is the molecular weight of 2,5-Bis(octyloxy)benzene-1,4-diacetonitrile?
The molecular weight of 2,5-Bis(octyloxy)benzene-1,4-diacetonitrile is 412.31 g/mol.
Where can I buy 2,5-Bis(octyloxy)benzene-1,4-diacetonitrile?
You can request a quote for 2,5-Bis(octyloxy)benzene-1,4-diacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Bis(octyloxy)benzene-1,4-diacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Bis(octyloxy)benzene-1,4-diacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.