4,5-Diphenoxybenzene-1,2-dicarbonitrile
TL;DR: 4,5-Diphenoxybenzene-1,2-dicarbonitrile (CAS 147699-63-6) is a chemical compound with molecular formula C20H12N2O2 and molecular weight 312.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-diphenoxybenzene-1,2-dicarbonitrile
Also Known As: 4,5-diphenoxyphthalonitrile, 4,5-diphenoxybenzene-1,2-dicarbonitrile, 4,5-Diphenoxy-1,2-benzenedicarbonitrile, 1,2-Dicyano-4,5-diphenoxybenzene, 4,5-BIS-PHENOXY-PHTHALONITRILE
| Molecular Formula | C20H12N2O2 |
|---|---|
| Molecular Weight | 312.09 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.08987 |
| Heavy Atoms | 24 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 147699-63-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=C(C=C(C(=C2)C#N)C#N)OC3=CC=CC=C3 |
| InChIKey | WLHHJDXXVXXPPI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Diphenoxybenzene-1,2-dicarbonitrile (CAS 147699-63-6), with molecular formula C20H12N2O2 and molecular weight 312.09 g/mol. IUPAC: 4,5-diphenoxybenzene-1,2-dicarbonitrile.
Chemical Property Profile of 4,5-Diphenoxybenzene-1,2-dicarbonitrile
Property Insights of 4,5-Diphenoxybenzene-1,2-dicarbonitrile
The XLogP value of 4.4 indicates that 4,5-Diphenoxybenzene-1,2-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Diphenoxybenzene-1,2-dicarbonitrile. Following Lipinski's Rule of Five, 4,5-Diphenoxybenzene-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 4,5-Diphenoxybenzene-1,2-dicarbonitrile?
The CAS number of 4,5-Diphenoxybenzene-1,2-dicarbonitrile is 147699-63-6.
What is the molecular formula of 4,5-Diphenoxybenzene-1,2-dicarbonitrile?
The molecular formula of 4,5-Diphenoxybenzene-1,2-dicarbonitrile is C20H12N2O2.
What is the molecular weight of 4,5-Diphenoxybenzene-1,2-dicarbonitrile?
The molecular weight of 4,5-Diphenoxybenzene-1,2-dicarbonitrile is 312.09 g/mol.
Where can I buy 4,5-Diphenoxybenzene-1,2-dicarbonitrile?
You can request a quote for 4,5-Diphenoxybenzene-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 4,5-Diphenoxybenzene-1,2-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Diphenoxybenzene-1,2-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.