CAS RN: 905298-84-2
LIMK1 inhibitor BMS 4
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260115 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS905298-84-2
- Purity/Analytical Methods: >99.0%
905298-84-2 / 1-ethyl-3-[5-[6-(4-methoxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-1,3-thiazol-2-yl]urea
Basic Information
CAS
905298-84-2
Multi CAS
Yes
Molecular Formula
C23H23N7O2S
Molecular Weight
461.500000
Exact Mass
461.163394
InChI
InChI=1S/C23H23N7O2S/c1-5-25-22(31)30-23-27-12-19(33-23)16-10-17(20-13(2)8-15(32-4)9-14(20)3)29-21(28-16)18-11-24-6-7-26-18/h6-12H,5H2,1-4H3,(H2,25,27,30,31)
InChIKey
WUCYRTXFXRZKSV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
23
Fraction Csp3
0.22
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
2
Molar refractivity
128.32
TPSA
114.81
LogP / Solubility
WLOGP
4.49
MLOGP
3.98
XLogP3
2.6
Consensus LogP
3.69
Log S (ESOL)
-5.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.11
Class (SILICOS-IT)
Insoluble
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)
-2.35
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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