CAS RN: 36503-83-0
2,4-Diphenylphthalazin-1(2H)-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.20260609 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LIND889050
36503-83-0 / 2,4-diphenylphthalazin-1-one
Basic Information
CAS
36503-83-0
Multi CAS
No
Molecular Formula
C20H14N2O
Molecular Weight
298.300000
Exact Mass
298.110613
InChI
InChI=1S/C20H14N2O/c23-20-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)21-22(20)16-11-5-2-6-12-16/h1-14H
InChIKey
SEMJODDJJQASLF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
22
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
92.78
TPSA
34.89
LogP / Solubility
WLOGP
4.05
MLOGP
3.58
XLogP3
4.4
Consensus LogP
4.01
Log S (ESOL)
-4.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.2
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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