4-(4-Butoxyphenoxy)benzene-1,2-dicarbonitrile
TL;DR: 4-(4-Butoxyphenoxy)benzene-1,2-dicarbonitrile (CAS 301658-11-7) is a chemical compound with molecular formula C18H16N2O2 and molecular weight 292.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-butoxyphenoxy)benzene-1,2-dicarbonitrile
Also Known As: 4-(4-butoxyphenoxy)benzene-1,2-dicarbonitrile, 4-(4-butoxyphenoxy)phthalonitrile, 4-(4-butyloxyphenoxy)phthalonitrile, AB01334605-02, 4-(4-BUTOXYPHENOXY)-2-CYANOPHENYL CYANIDE
| Molecular Formula | C18H16N2O2 |
|---|---|
| Molecular Weight | 292.12 g/mol |
| LogP | 4.40116 |
| Topological Polar Surface Area | 66.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 292.1212 |
| Heavy Atoms | 22 |
| Complexity | 709.34753 |
Chemical Identifiers
| CAS Number | 301658-11-7 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)OC2=CC(=C(C=C2)C#N)C#N |
Product Overview
4-(4-Butoxyphenoxy)benzene-1,2-dicarbonitrile (CAS 301658-11-7), with molecular formula C18H16N2O2 and molecular weight 292.12 g/mol. IUPAC: 4-(4-butoxyphenoxy)benzene-1,2-dicarbonitrile.
Chemical Property Profile of 4-(4-Butoxyphenoxy)benzene-1,2-dicarbonitrile
Property Insights of 4-(4-Butoxyphenoxy)benzene-1,2-dicarbonitrile
The XLogP value of 4.40116 indicates that 4-(4-Butoxyphenoxy)benzene-1,2-dicarbonitrile 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-(4-Butoxyphenoxy)benzene-1,2-dicarbonitrile. Following Lipinski's Rule of Five, 4-(4-Butoxyphenoxy)benzene-1,2-dicarbonitrile 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-(4-Butoxyphenoxy)benzene-1,2-dicarbonitrile?
The CAS number of 4-(4-Butoxyphenoxy)benzene-1,2-dicarbonitrile is 301658-11-7.
What is the molecular formula of 4-(4-Butoxyphenoxy)benzene-1,2-dicarbonitrile?
The molecular formula of 4-(4-Butoxyphenoxy)benzene-1,2-dicarbonitrile is C18H16N2O2.
What is the molecular weight of 4-(4-Butoxyphenoxy)benzene-1,2-dicarbonitrile?
The molecular weight of 4-(4-Butoxyphenoxy)benzene-1,2-dicarbonitrile is 292.12 g/mol.
Where can I buy 4-(4-Butoxyphenoxy)benzene-1,2-dicarbonitrile?
You can request a quote for 4-(4-Butoxyphenoxy)benzene-1,2-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Butoxyphenoxy)benzene-1,2-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Butoxyphenoxy)benzene-1,2-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.