CAS RN: 1365889-99-1
5-(Cyclobutylethynyl)-3-fluoro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
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.20251127 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LINC905370
1365889-99-1 / 5-(2-cyclobutylethynyl)-3-fluoro-1-(oxan-2-yl)indazole
Basic Information
CAS
1365889-99-1
Multi CAS
No
Molecular Formula
C18H19FN2O
Molecular Weight
298.400000
Exact Mass
298.148141
SMILES
C1CCOC(C1)N2C3=C(C=C(C=C3)C#CC4CCC4)C(=N2)F
InChI
InChI=1S/C18H19FN2O/c19-18-15-12-14(8-7-13-4-3-5-13)9-10-16(15)21(20-18)17-6-1-2-11-22-17/h9-10,12-13,17H,1-6,11H2
InChIKey
OMMCXFAXAPVZLK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
82.75
TPSA
27.05
LogP / Solubility
WLOGP
4.03
MLOGP
3.55
XLogP3
4.6
Consensus LogP
4.06
Log S (ESOL)
-4.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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