![CAS 356560-76-4 1-(benzo[d][1,3]dioxol-5-yl)-2-(6-Methylpyridin-2-yl)ethane-1,2-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/356560-76-4(2).gif)
CAS RN: 356560-76-4
1-(benzo[d][1,3]dioxol-5-yl)-2-(6-Methylpyridin-2-yl)ethane-1,2-dione
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.20260630 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS356560-76-4
- Purity/Analytical Methods: >99.0%
356560-76-4 / 1-(1,3-benzodioxol-5-yl)-2-(6-methyl-2-pyridinyl)ethane-1,2-dione
Basic Information
CAS
356560-76-4
Multi CAS
No
Molecular Formula
C15H11NO4
Molecular Weight
269.250000
Exact Mass
269.068808
InChI
InChI=1S/C15H11NO4/c1-9-3-2-4-11(16-9)15(18)14(17)10-5-6-12-13(7-10)20-8-19-12/h2-7H,8H2,1H3
InChIKey
LPAPKMWNCWXGCP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
70.2
TPSA
65.49
LogP / Solubility
WLOGP
2.18
MLOGP
1.93
XLogP3
2.4
Consensus LogP
2.17
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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