4,4'-((Propane-2,2-diylbis(4,1-phenylene))bis(oxy))diphthalonitrile
TL;DR: 4,4'-((Propane-2,2-diylbis(4,1-phenylene))bis(oxy))diphthalonitrile (CAS 38791-67-2) is a chemical compound with molecular formula C31H20N4O2 and molecular weight 480.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[2-[4-(3,4-dicyanophenoxy)phenyl]propan-2-yl]phenoxy]benzene-1,2-dicarbonitrile
Also Known As: 4,4'-((Propane-2,2-diylbis(4,1-phenylene))bis(oxy))diphthalonitrile, BAS 00085053, NCI60_015974, J1.258.931J, 2,2-bis[4-(3,4-dicyanophenoxy)phenyl]propane
| Molecular Formula | C31H20N4O2 |
|---|---|
| Molecular Weight | 480.16 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.15863 |
| Heavy Atoms | 37 |
| Complexity | 892.0 |
Chemical Identifiers
| CAS Number | 38791-67-2 |
|---|---|
| SMILES | CC(C)(C1=CC=C(C=C1)OC2=CC(=C(C=C2)C#N)C#N)C3=CC=C(C=C3)OC4=CC(=C(C=C4)C#N)C#N |
| InChIKey | JHYUOAPCMWCEND-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-((Propane-2,2-diylbis(4,1-phenylene))bis(oxy))diphthalonitrile (CAS 38791-67-2), with molecular formula C31H20N4O2 and molecular weight 480.16 g/mol. IUPAC: 4-[4-[2-[4-(3,4-dicyanophenoxy)phenyl]propan-2-yl]phenoxy]benzene-1,2-dicarbonitrile.
Chemical Property Profile of 4,4'-((Propane-2,2-diylbis(4,1-phenylene))bis(oxy))diphthalonitrile
Property Insights of 4,4'-((Propane-2,2-diylbis(4,1-phenylene))bis(oxy))diphthalonitrile
The XLogP value of 6.7 indicates that 4,4'-((Propane-2,2-diylbis(4,1-phenylene))bis(oxy))diphthalonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-((Propane-2,2-diylbis(4,1-phenylene))bis(oxy))diphthalonitrile. Following Lipinski's Rule of Five, 4,4'-((Propane-2,2-diylbis(4,1-phenylene))bis(oxy))diphthalonitrile has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,4'-((Propane-2,2-diylbis(4,1-phenylene))bis(oxy))diphthalonitrile?
The CAS number of 4,4'-((Propane-2,2-diylbis(4,1-phenylene))bis(oxy))diphthalonitrile is 38791-67-2.
What is the molecular formula of 4,4'-((Propane-2,2-diylbis(4,1-phenylene))bis(oxy))diphthalonitrile?
The molecular formula of 4,4'-((Propane-2,2-diylbis(4,1-phenylene))bis(oxy))diphthalonitrile is C31H20N4O2.
What is the molecular weight of 4,4'-((Propane-2,2-diylbis(4,1-phenylene))bis(oxy))diphthalonitrile?
The molecular weight of 4,4'-((Propane-2,2-diylbis(4,1-phenylene))bis(oxy))diphthalonitrile is 480.16 g/mol.
Where can I buy 4,4'-((Propane-2,2-diylbis(4,1-phenylene))bis(oxy))diphthalonitrile?
You can request a quote for 4,4'-((Propane-2,2-diylbis(4,1-phenylene))bis(oxy))diphthalonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-((Propane-2,2-diylbis(4,1-phenylene))bis(oxy))diphthalonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-((Propane-2,2-diylbis(4,1-phenylene))bis(oxy))diphthalonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.