CAS RN: 2123489-30-3
Allosteric WNK Kinase Inhibitor
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.20250920 | 1mg / 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS2123489-30-3
- Purity/Analytical Methods: >99.0%
2123489-30-3 / [5-chloro-2-[2-(methylamino)-1,3-thiazol-4-yl]-4-pyridinyl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
Basic Information
CAS
2123489-30-3
Multi CAS
No
Molecular Formula
C21H21Cl2N5OS
Molecular Weight
462.400000
Exact Mass
461.084387
SMILES
CNC1=NC(=CS1)C2=NC=C(C(=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/C21H21Cl2N5OS/c1-24-21-26-19(13-30-21)18-10-16(17(23)11-25-18)20(29)28-8-6-27(7-9-28)12-14-2-4-15(22)5-3-14/h2-5,10-11,13H,6-9,12H2,1H3,(H,24,26)
InChIKey
MVXAYIXYYOVALX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
17
Fraction Csp3
0.29
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
122.53
TPSA
61.36
LogP / Solubility
WLOGP
4.51
MLOGP
4
XLogP3
3.9
Consensus LogP
4.14
Log S (ESOL)
-5.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.61
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.01
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)
-2.34
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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