CAS RN: 65361-84-4
1-(4-(Benzyloxy)-1H-indazol-1-yl)ethanone
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.20251219 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS65361-84-4
- Purity/Analytical Methods: >99.0%
65361-84-4 / 1-(4-phenylmethoxyindazol-1-yl)ethanone
Basic Information
CAS
65361-84-4
Multi CAS
No
Molecular Formula
C16H14N2O2
Molecular Weight
266.290000
Exact Mass
266.105528
InChI
InChI=1S/C16H14N2O2/c1-12(19)18-15-8-5-9-16(14(15)10-17-18)20-11-13-6-3-2-4-7-13/h2-10H,11H2,1H3
InChIKey
QSJAYNUXMYHEFZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
76.81
TPSA
44.12
LogP / Solubility
WLOGP
3.28
MLOGP
2.89
XLogP3
2.9
Consensus LogP
3.02
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.47
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)
-2.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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