CAS RN: 82668-99-3
“3,5,6,7,8,3′-Hexamethoxy-4′,5′-methylenedioxyflavone”
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.20250526 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS82668-99-3
- Purity/Analytical Methods: >99.0%
82668-99-3 / 3,5,6,7,8-pentamethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)chromen-4-one
Basic Information
CAS
82668-99-3
Multi CAS
Yes
Molecular Formula
C22H22O10
Molecular Weight
446.400000
Exact Mass
446.121297
InChI
InChI=1S/C22H22O10/c1-24-11-7-10(8-12-16(11)31-9-30-12)15-19(26-3)14(23)13-17(25-2)20(27-4)22(29-6)21(28-5)18(13)32-15/h7-8H,9H2,1-6H3
InChIKey
LWKSKTDPPVFJNO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
16
Fraction Csp3
0.32
Rotatable bonds
7
H-bond acceptors
10
Molar refractivity
113.36
TPSA
104.05
LogP / Solubility
WLOGP
3.24
MLOGP
2.88
XLogP3
3
Consensus LogP
3.04
Log S (ESOL)
-4.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.09
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-3.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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