CAS RN: 322413-12-7
4-[(Methoxybenzylidene)amino]stilbene
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.20251015 |
250mg |
In stock |
Shanghai | Inquiry |
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Product code:
ICTM0603
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Purity/Analytical Methods:
>98.0%(T)
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322413-12-7 / 1-(4-methoxyphenyl)-N-[4-(2-phenylethenyl)phenyl]methanimine
Standard CAS: 322413-12-7
Multi CAS: Yes
Basic Information
CAS
322413-12-7
Multi CAS
Yes
Molecular Formula
C22H19NO
Molecular Weight
313.400000
Exact Mass
313.146664
InChI
InChI=1S/C22H19NO/c1-24-22-15-11-20(12-16-22)17-23-21-13-9-19(10-14-21)8-7-18-5-3-2-4-6-18/h2-17H,1H3
InChIKey
AMWLHYSTQXHJRQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
102.06
TPSA
21.59
LogP / Solubility
WLOGP
5.62
MLOGP
4.96
XLogP3
5.5
Consensus LogP
5.36
Log S (ESOL)
-5.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.96
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5