CAS RN: 56406-20-3
1,2-Bis(4-cyanophenoxy)ethane
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251115 | 250mg / 500mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS56406-20-3
- Purity/Analytical Methods: >99.0%
56406-20-3 / 4-[2-(4-cyanophenoxy)ethoxy]benzonitrile
Basic Information
CAS
56406-20-3
Multi CAS
No
Molecular Formula
C16H12N2O2
Molecular Weight
264.280000
Exact Mass
264.089878
InChI
InChI=1S/C16H12N2O2/c17-11-13-1-5-15(6-2-13)19-9-10-20-16-7-3-14(12-18)4-8-16/h1-8H,9-10H2
InChIKey
IGOKKRACOOYNCR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
73.3
TPSA
66.04
LogP / Solubility
WLOGP
2.89
MLOGP
2.55
XLogP3
3.2
Consensus LogP
2.88
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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