CAS RN: 1365889-96-8
5-broMo-3-fluoro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251113 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1365889-96-8
- Purity/Analytical Methods: >99.0%
1365889-96-8 / 5-bromo-3-fluoro-1-(oxan-2-yl)indazole
Basic Information
CAS
1365889-96-8
Multi CAS
No
Molecular Formula
C12H12BrFN2O
Molecular Weight
299.140000
Exact Mass
298.011700
SMILES
C1CCOC(C1)N2C3=C(C=C(C=C3)Br)C(=N2)F
InChI
InChI=1S/C12H12BrFN2O/c13-8-4-5-10-9(7-8)12(14)15-16(10)11-3-1-2-6-17-11/h4-5,7,11H,1-3,6H2
InChIKey
GCWXLPSTFDLJSF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
66.23
TPSA
27.05
LogP / Solubility
WLOGP
3.64
MLOGP
3.21
XLogP3
3.5
Consensus LogP
3.45
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.74
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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