CAS RN: 955-98-6
4,4′-ONN-Azoxybistoluene
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.20260602 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS955-98-6
- Purity/Analytical Methods: >99.0%
955-98-6 / (4-methylphenyl)-(4-methylphenyl)imino-oxidoazanium
Basic Information
CAS
955-98-6
Multi CAS
Yes
Molecular Formula
C14H14N2O
Molecular Weight
226.270000
Exact Mass
226.110613
InChI
InChI=1S/C14H14N2O/c1-11-3-7-13(8-4-11)15-16(17)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKey
SDCOJRCIBWCATN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
67.73
TPSA
38.43
LogP / Solubility
WLOGP
4.23
MLOGP
3.72
XLogP3
3.9
Consensus LogP
3.95
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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