CAS RN: 152459-94-4
CGP-53716
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.20260218 | 5mg / 10mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINC899770
152459-94-4 / N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
Basic Information
CAS
152459-94-4
Multi CAS
No
Molecular Formula
C23H19N5O
Molecular Weight
381.400000
Exact Mass
381.158960
SMILES
CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2)NC3=NC=CC(=N3)C4=CN=CC=C4
InChI
InChI=1S/C23H19N5O/c1-16-9-10-19(26-22(29)17-6-3-2-4-7-17)14-21(16)28-23-25-13-11-20(27-23)18-8-5-12-24-15-18/h2-15H,1H3,(H,26,29)(H,25,27,28)
InChIKey
UOEJSOXEHKCNAE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
24
Fraction Csp3
0.04
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
114.12
TPSA
79.8
LogP / Solubility
WLOGP
4.84
MLOGP
4.28
XLogP3
3.9
Consensus LogP
4.34
Log S (ESOL)
-5.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.76
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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