CAS RN: 78351-75-4
1-(3-Chloroanilino)-4-phenylphthalazine
Product Availability
Choose a grade to view its available package options.
11 package records11 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250722 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20251211 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250824 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20251031 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260615 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260518 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251219 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250610 | 5mg | In stock | Shanghai | Inquiry |
- Product code: ICTC2884
- Purity/Analytical Methods: >98.0%(GC)
78351-75-4 / N-(3-chlorophenyl)-4-phenylphthalazin-1-amine
Basic Information
CAS
78351-75-4
Multi CAS
Yes
Molecular Formula
C20H14CLN3
Molecular Weight
331.800000
Exact Mass
331.087625
InChI
InChI=1S/C20H14ClN3/c21-15-9-6-10-16(13-15)22-20-18-12-5-4-11-17(18)19(23-24-20)14-7-2-1-3-8-14/h1-13H,(H,22,24)
InChIKey
CEHQLKSLMFIHBF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
22
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
99.71
TPSA
37.81
LogP / Solubility
WLOGP
5.69
MLOGP
5.03
XLogP3
5.3
Consensus LogP
5.34
Log S (ESOL)
-5.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.9
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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