CAS RN: 880487-62-7
Phthalazinone pyrazole
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251219 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS880487-62-7
- Purity/Analytical Methods: >99.0%
880487-62-7 / 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylphthalazin-1-one
Basic Information
CAS
880487-62-7
Multi CAS
Yes
Molecular Formula
C18H15N5O
Molecular Weight
317.300000
Exact Mass
317.127660
InChI
InChI=1S/C18H15N5O/c1-12-11-16(21-20-12)19-17-14-9-5-6-10-15(14)18(24)23(22-17)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22)
InChIKey
DSDIWWSXOOXFSI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
21
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
93.95
TPSA
75.6
LogP / Solubility
WLOGP
3.16
MLOGP
2.8
XLogP3
2.8
Consensus LogP
2.92
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.71
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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