CAS RN: 57709-77-0
4-(4-chlorophenyl)-2-phenyl-1(2H)-phthalazinone
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.20250727 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS57709-77-0
- Purity/Analytical Methods: >99.0%
57709-77-0 / 4-(4-chlorophenyl)-2-phenylphthalazin-1-one
Basic Information
CAS
57709-77-0
Multi CAS
No
Molecular Formula
C20H13CLN2O
Molecular Weight
332.800000
Exact Mass
332.071641
InChI
InChI=1S/C20H13ClN2O/c21-15-12-10-14(11-13-15)19-17-8-4-5-9-18(17)20(24)23(22-19)16-6-2-1-3-7-16/h1-13H
InChIKey
QAXBJEHARAXYIA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
22
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
97.79
TPSA
34.89
LogP / Solubility
WLOGP
4.71
MLOGP
4.16
XLogP3
5
Consensus LogP
4.62
Log S (ESOL)
-5.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.97
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)
-1.41
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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