CAS RN: 1454682-72-4
LY-3009120
Product Availability
Choose a grade to view its available package options.
15 package records14 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250310 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260113 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251126 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260524 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250819 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260512 | 2mg | In stock | Shanghai | Inquiry |
| Batchno.20250906 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250128 | 5mg | In stock | Shanghai | Inquiry |
| Batchno.20250306 | 5mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1454682-72-4
- Purity/Analytical Methods: >99.0%
1454682-72-4 / 1-(3,3-dimethylbutyl)-3-[2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]urea
Basic Information
CAS
1454682-72-4
Multi CAS
No
Molecular Formula
C23H29FN6O
Molecular Weight
424.500000
Exact Mass
424.238688
SMILES
CC1=CC(=C(C=C1C2=C(N=C3C(=C2)C=NC(=N3)NC)C)NC(=O)NCCC(C)(C)C)F
InChI
InChI=1S/C23H29FN6O/c1-13-9-18(24)19(29-22(31)26-8-7-23(3,4)5)11-16(13)17-10-15-12-27-21(25-6)30-20(15)28-14(17)2/h9-12H,7-8H2,1-6H3,(H2,26,29,31)(H,25,27,28,30)
InChIKey
HHCBMISMPSAZBF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
16
Fraction Csp3
0.39
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
3
Molar refractivity
122.84
TPSA
91.83
LogP / Solubility
WLOGP
5.05
MLOGP
4.47
XLogP3
4.7
Consensus LogP
4.74
Log S (ESOL)
-5.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.21
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)
-1.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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