CAS RN: 4821-88-9
6,7-Dimethoxyphthalazin-1(2H)-one
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250515 | 50mg | Out of stock | Inquiry |
- Product code: starshine_CAS4821-88-9
- Purity/Analytical Methods: >99.0%
4821-88-9 / 6,7-dimethoxy-2H-phthalazin-1-one
Basic Information
CAS
4821-88-9
Multi CAS
Yes
Molecular Formula
C10H10N2O3
Molecular Weight
206.200000
Exact Mass
206.069142
InChI
InChI=1S/C10H10N2O3/c1-14-8-3-6-5-11-12-10(13)7(6)4-9(8)15-2/h3-5H,1-2H3,(H,12,13)
InChIKey
ULUPECZWKSBPAW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.47
TPSA
64.21
LogP / Solubility
WLOGP
0.94
MLOGP
0.83
XLogP3
0.7
Consensus LogP
0.82
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
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)
-3.31
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
-
-
2-MERCAPTOACETANILIDE
- CAS RN: 4822-44-0
- Product Code: starshine_CAS4822-44-0
- Purity/Analytical method: >99.0%
-
-
-
-
