CAS RN: 63536-32-3
2-(Propan-2-yl)-1,2-dihydrophthalazin-1-one
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.20251125 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINP889069
63536-32-3 / 2-propan-2-ylphthalazin-1-one
Basic Information
CAS
63536-32-3
Multi CAS
No
Molecular Formula
C11H12N2O
Molecular Weight
188.230000
Exact Mass
188.094963
InChI
InChI=1S/C11H12N2O/c1-8(2)13-11(14)10-6-4-3-5-9(10)7-12-13/h3-8H,1-2H3
InChIKey
FWWCAOBJRREJQI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
56.39
TPSA
34.89
LogP / Solubility
WLOGP
1.98
MLOGP
1.74
XLogP3
1.4
Consensus LogP
1.71
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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