CAS RN: 82669-01-0
“5-Hydroxy-3,6,7,8,3′-pentamethoxy-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.20251129 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS82669-01-0
- Purity/Analytical Methods: >99.0%
82669-01-0 / 5-hydroxy-3,6,7,8-tetramethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)chromen-4-one
Basic Information
CAS
82669-01-0
Multi CAS
Yes
Molecular Formula
C21H20O10
Molecular Weight
432.400000
Exact Mass
432.105647
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
31
Aromatic heavy atom count
16
Fraction Csp3
0.29
Rotatable bonds
6
H-bond acceptors
10
H-bond donors
1
Molar refractivity
108.47
TPSA
115.05
LogP / Solubility
WLOGP
2.94
MLOGP
2.61
XLogP3
3.3
Consensus LogP
2.95
Log S (ESOL)
-4.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.63
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
Yes
Log Kp (skin permeation)
-3.27
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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