CAS RN: 2060060-69-5
6-HYDROXY-1,2-DIHYDROPHTHALAZIN-1-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.20250919 | 50mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2060060-69-5
- Purity/Analytical Methods: >99.0%
2060060-69-5 / 6-hydroxy-2H-phthalazin-1-one
Basic Information
CAS
2060060-69-5
Multi CAS
No
Molecular Formula
C8H6N2O2
Molecular Weight
162.150000
Exact Mass
162.042927
SMILES
C1=CC2=C(C=C1O)C=NNC2=O
InChI
InChI=1S/C8H6N2O2/c11-6-1-2-7-5(3-6)4-9-10-8(7)12/h1-4,11H,(H,10,12)
InChIKey
ZEUPYYPVUWLWBX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
3
H-bond donors
2
Molar refractivity
44.03
TPSA
65.98
LogP / Solubility
WLOGP
0.63
MLOGP
0.55
XLogP3
0.4
Consensus LogP
0.53
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.24
Class (SILICOS-IT)
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)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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