CAS RN: 57594-20-4
4-(1H-IMIDAZOL-2-YL)PHTHALAZIN-1(2H)-ONE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250127 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS57594-20-4
- Purity/Analytical Methods: >99.0%
57594-20-4 / 4-(1H-imidazol-2-yl)-2H-phthalazin-1-one
Basic Information
CAS
57594-20-4
Multi CAS
Yes
Molecular Formula
C11H8N4O
Molecular Weight
212.210000
Exact Mass
212.069811
InChI
InChI=1S/C11H8N4O/c16-11-8-4-2-1-3-7(8)9(14-15-11)10-12-5-6-13-10/h1-6H,(H,12,13)(H,15,16)
InChIKey
RSHQKXIMSDPOBI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
59.95
TPSA
74.43
LogP / Solubility
WLOGP
1.31
MLOGP
1.16
XLogP3
1.2
Consensus LogP
1.22
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
Methyl 4-oxotetrahydrofuran-3-carboxylate
- CAS RN: 57595-23-0
- Product Code: starshine_CAS57595-23-0
- Purity/Analytical method: >99.0%
-
-
7-(diethylaMino)-2-oxo-2H-chroMene-3-carbaldehyde
- CAS RN: 57597-64-5
- Product Code: SSC-165762
-
-
-
2-BIPHENYL-2-YL-4,4-DIMETHYL-4,5-DIHYDRO-OXAZOLE
- CAS RN: 57598-40-0
- Product Code: SSC-165765
