CAS RN: 2828433-64-1
(2E,2’E)-N,N’-(1,4-phenylenebis(methylene))bis(3-(pyridin-4-yl)acrylamide)
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250522 | 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2828433-64-1
- Purity/Analytical Methods: >99.0%
2828433-64-1 / (E)-3-pyridin-4-yl-N-[[4-[[[(E)-3-pyridin-4-ylprop-2-enoyl]amino]methyl]phenyl]methyl]prop-2-enamide
Basic Information
CAS
2828433-64-1
Multi CAS
No
Molecular Formula
C24H22N4O2
Molecular Weight
398.500000
Exact Mass
398.174276
InChI
InChI=1S/C24H22N4O2/c29-23(7-5-19-9-13-25-14-10-19)27-17-21-1-2-22(4-3-21)18-28-24(30)8-6-20-11-15-26-16-12-20/h1-16H,17-18H2,(H,27,29)(H,28,30)/b7-5+,8-6+
InChIKey
OWWPIWPPXZNIAY-KQQUZDAGSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.08
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
116.68
TPSA
83.98
LogP / Solubility
WLOGP
3.14
MLOGP
2.78
XLogP3
2.2
Consensus LogP
2.71
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.81
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
Yes
Log Kp (skin permeation)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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