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.PackageAvailabilityWarehouseInquiry
Batchno.20251015 250mg In stock Shanghai Inquiry
  • Product code: ICTM0603
  • Purity/Analytical Methods: >98.0%(T)
GET A QUOTE

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

Get In Touch

Contact Us