CAS RN: 395101-84-5
3-bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole-5-carboxamide
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.20250207 | 200mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINH926633
395101-84-5 / 3-bromo-1-(oxan-2-yl)indazole-5-carboxamide
Basic Information
CAS
395101-84-5
Multi CAS
No
Molecular Formula
BC13H14O2Rn3
Molecular Weight
324.170000
Exact Mass
323.026940
InChI
InChI=1S/C13H14BrN3O2/c14-12-9-7-8(13(15)18)4-5-10(9)17(16-12)11-3-1-2-6-19-11/h4-5,7,11H,1-3,6H2,(H2,15,18)
InChIKey
JQSURFWZLVNQOD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
74.79
TPSA
70.14
LogP / Solubility
WLOGP
2.6
MLOGP
2.3
XLogP3
2.2
Consensus LogP
2.37
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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