CAS RN: 57709-75-8
2-Phenyl-4-(p-tolyl)phthalazin-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.20250208 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINP889065
57709-75-8 / 4-(4-methylphenyl)-2-phenylphthalazin-1-one
Basic Information
CAS
57709-75-8
Multi CAS
No
Molecular Formula
C21H16N2O
Molecular Weight
312.400000
Exact Mass
312.126263
InChI
InChI=1S/C21H16N2O/c1-15-11-13-16(14-12-15)20-18-9-5-6-10-19(18)21(24)23(22-20)17-7-3-2-4-8-17/h2-14H,1H3
InChIKey
CBTVLLOUYLFHAI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
22
Fraction Csp3
0.05
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
97.51
TPSA
34.89
LogP / Solubility
WLOGP
4.36
MLOGP
3.85
XLogP3
4.8
Consensus LogP
4.34
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.55
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
