CAS RN: 840529-13-7
Helioxanthin 8-1
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.20260516 | 2mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS840529-13-7
- Purity/Analytical Methods: >99.0%
840529-13-7 / 11-(1,3-benzodioxol-5-yl)-8,9-dihydro-[1,3]benzodioxolo[7,6-g]phthalazine-7,10-dione
Basic Information
CAS
840529-13-7
Multi CAS
Yes
Molecular Formula
C20H12N2O6
Molecular Weight
376.300000
Exact Mass
376.069536
InChI
InChI=1S/C20H12N2O6/c23-19-11-5-9-2-4-13-18(28-8-26-13)16(9)15(17(11)20(24)22-21-19)10-1-3-12-14(6-10)27-7-25-12/h1-6H,7-8H2,(H,21,23)(H,22,24)
InChIKey
PXSPEYYAEFFUMN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
20
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
2
Molar refractivity
100.38
TPSA
102.64
LogP / Solubility
WLOGP
2.49
MLOGP
2.22
XLogP3
2.9
Consensus LogP
2.54
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.3
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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