4,5-Dioctyloxy-1,2-benzenedicarbonitrile
TL;DR: 4,5-Dioctyloxy-1,2-benzenedicarbonitrile (CAS 118132-11-9) is a chemical compound with molecular formula C24H36N2O2 and molecular weight 384.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dioctoxybenzene-1,2-dicarbonitrile
Also Known As: 4,5-Dioctyloxy-1,2-benzenedicarbonitrile, 4,5-dioctoxyphthalonitrile, 4,5-dioctoxybenzene-1,2-dicarbonitrile, 4,5-Dioctyloxyphthalonitrile, 4,5-Bis(octyloxy)phthalonitrile
| Molecular Formula | C24H36N2O2 |
|---|---|
| Molecular Weight | 384.28 g/mol |
| LogP | 6.90856 |
| Topological Polar Surface Area | 66.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 384.27768 |
| Heavy Atoms | 28 |
| Complexity | 573.7179 |
Chemical Identifiers
| CAS Number | 118132-11-9 |
|---|---|
| SMILES | CCCCCCCCOC1=C(C=C(C(=C1)C#N)C#N)OCCCCCCCC |
Product Overview
4,5-Dioctyloxy-1,2-benzenedicarbonitrile (CAS 118132-11-9), with molecular formula C24H36N2O2 and molecular weight 384.28 g/mol. IUPAC: 4,5-dioctoxybenzene-1,2-dicarbonitrile.
Chemical Property Profile of 4,5-Dioctyloxy-1,2-benzenedicarbonitrile
Property Insights of 4,5-Dioctyloxy-1,2-benzenedicarbonitrile
The XLogP value of 6.90856 indicates that 4,5-Dioctyloxy-1,2-benzenedicarbonitrile 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 4,5-Dioctyloxy-1,2-benzenedicarbonitrile. Following Lipinski's Rule of Five, 4,5-Dioctyloxy-1,2-benzenedicarbonitrile 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 4,5-Dioctyloxy-1,2-benzenedicarbonitrile?
The CAS number of 4,5-Dioctyloxy-1,2-benzenedicarbonitrile is 118132-11-9.
What is the molecular formula of 4,5-Dioctyloxy-1,2-benzenedicarbonitrile?
The molecular formula of 4,5-Dioctyloxy-1,2-benzenedicarbonitrile is C24H36N2O2.
What is the molecular weight of 4,5-Dioctyloxy-1,2-benzenedicarbonitrile?
The molecular weight of 4,5-Dioctyloxy-1,2-benzenedicarbonitrile is 384.28 g/mol.
Where can I buy 4,5-Dioctyloxy-1,2-benzenedicarbonitrile?
You can request a quote for 4,5-Dioctyloxy-1,2-benzenedicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dioctyloxy-1,2-benzenedicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dioctyloxy-1,2-benzenedicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.