CAS RN: 82668-94-8
“3′-Hydroxy-3,5,8,4′,5′-pentamethoxy-6,7-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.20251020 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS82668-94-8
- Purity/Analytical Methods: >99.0%
82668-94-8 / 6-(3-hydroxy-4,5-dimethoxyphenyl)-4,7,9-trimethoxy-[1,3]dioxolo[4,5-g]chromen-8-one
Basic Information
CAS
82668-94-8
Multi CAS
No
Molecular Formula
C21H20O10
Molecular Weight
432.400000
Exact Mass
432.105647
InChI
InChI=1S/C21H20O10/c1-24-11-7-9(6-10(22)15(11)25-2)14-18(27-4)13(23)12-16(26-3)20-21(30-8-29-20)19(28-5)17(12)31-14/h6-7,22H,8H2,1-5H3
InChIKey
WUDSCDNDSIMTCN-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
2.7
Consensus LogP
2.75
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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