CAS RN: 4792-83-0
4,4′-Azoxydiphenetole
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250913 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTA0683
- Purity/Analytical Methods: >98.0%(N)
4792-83-0 / (4-ethoxyphenyl)-(4-ethoxyphenyl)imino-oxidoazanium
Basic Information
CAS
4792-83-0
Multi CAS
No
Molecular Formula
C16H18N2O3
Molecular Weight
286.330000
Exact Mass
286.131742
InChI
InChI=1S/C16H18N2O3/c1-3-20-15-9-5-13(6-10-15)17-18(19)14-7-11-16(12-8-14)21-4-2/h5-12H,3-4H2,1-2H3
InChIKey
QUICZVHSJNKDBL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
80.6
TPSA
56.89
LogP / Solubility
WLOGP
4.41
MLOGP
3.89
XLogP3
3.8
Consensus LogP
4.03
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.9
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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