1,3-Bis(3,4-dicyanophenoxy)benzene
TL;DR: 1,3-Bis(3,4-dicyanophenoxy)benzene (CAS 72452-47-2) is a chemical compound with molecular formula C22H10N4O2 and molecular weight 362.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(3,4-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile
Also Known As: 1,3-BIS(3,4-DICYANOPHENOXY)BENZENE, Phthalonitrile, 1,3-Bis benzene, 4-[3-(3,4-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile, 1,3-bis-(3,4-Dicyanophenoxy)benzene
| Molecular Formula | C22H10N4O2 |
|---|---|
| Molecular Weight | 362.08 g/mol |
| LogP | 4.75792 |
| Topological Polar Surface Area | 113.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.08038 |
| Heavy Atoms | 28 |
| Complexity | 1128.2451 |
Chemical Identifiers
| CAS Number | 72452-47-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC2=CC(=C(C=C2)C#N)C#N)OC3=CC(=C(C=C3)C#N)C#N |
Product Overview
1,3-Bis(3,4-dicyanophenoxy)benzene (CAS 72452-47-2), with molecular formula C22H10N4O2 and molecular weight 362.08 g/mol. IUPAC: 4-[3-(3,4-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile.
Chemical Property Profile of 1,3-Bis(3,4-dicyanophenoxy)benzene
Property Insights of 1,3-Bis(3,4-dicyanophenoxy)benzene
The XLogP value of 4.75792 indicates that 1,3-Bis(3,4-dicyanophenoxy)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis(3,4-dicyanophenoxy)benzene. Following Lipinski's Rule of Five, 1,3-Bis(3,4-dicyanophenoxy)benzene has 0 hydrogen bond donor(s) and 6 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 1,3-Bis(3,4-dicyanophenoxy)benzene?
The CAS number of 1,3-Bis(3,4-dicyanophenoxy)benzene is 72452-47-2.
What is the molecular formula of 1,3-Bis(3,4-dicyanophenoxy)benzene?
The molecular formula of 1,3-Bis(3,4-dicyanophenoxy)benzene is C22H10N4O2.
What is the molecular weight of 1,3-Bis(3,4-dicyanophenoxy)benzene?
The molecular weight of 1,3-Bis(3,4-dicyanophenoxy)benzene is 362.08 g/mol.
Where can I buy 1,3-Bis(3,4-dicyanophenoxy)benzene?
You can request a quote for 1,3-Bis(3,4-dicyanophenoxy)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(3,4-dicyanophenoxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(3,4-dicyanophenoxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.