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CAS 1243243-89-1 Wnt-C59 molecular structure lightbox
CAS RN: 1243243-89-1

Wnt-C59

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9 package records6 with current stock3 grade groups
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Batchno.20250802 5mg / 25mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
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  • Product code: starshine_CAS1243243-89-1
  • Purity/Analytical Methods: >99.0%
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1243243-89-1 / 2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-pyridin-3-ylphenyl)acetamide

Standard CAS: 1243243-89-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1243243-89-1
Multi CAS
No
Molecular Formula
C25H21N3O
Molecular Weight
379.500000
Exact Mass
379.168462
SMILES
CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4
InChI
InChI=1S/C25H21N3O/c1-18-15-22(12-14-27-18)20-6-4-19(5-7-20)16-25(29)28-24-10-8-21(9-11-24)23-3-2-13-26-17-23/h2-15,17H,16H2,1H3,(H,28,29)
InChIKey
KHZOJCQBHJUJFY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
24
Fraction Csp3
0.08
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
116.42
TPSA
54.88

LogP / Solubility

WLOGP
5.3
MLOGP
4.69
XLogP3
4.2
Consensus LogP
4.73
Log S (ESOL)
-5.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.13
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)
-1.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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