CAS RN: 395102-97-3
3-bromo-1-(tetrahydro-2H-pyran-2-yl)-5-(1H-1,2,4-triazol-3-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.20250531 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINH926632
395102-97-3 / 3-bromo-1-(oxan-2-yl)-5-(1H-1,2,4-triazol-5-yl)indazole
Basic Information
CAS
395102-97-3
Multi CAS
No
Molecular Formula
BC14H14ORn5
Molecular Weight
348.200000
Exact Mass
347.038170
InChI
InChI=1S/C14H14BrN5O/c15-13-10-7-9(14-16-8-17-18-14)4-5-11(10)20(19-13)12-3-1-2-6-21-12/h4-5,7-8,12H,1-3,6H2,(H,16,17,18)
InChIKey
RKQVXXNMNDXNRG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
14
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
81.65
TPSA
68.62
LogP / Solubility
WLOGP
3.28
MLOGP
2.91
XLogP3
3.1
Consensus LogP
3.1
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.89
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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