CAS RN: 82668-96-0
“5,5′-Dihydroxy-3,8,3′,4′-tetramethoxy-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.20250827 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS82668-96-0
- Purity/Analytical Methods: >99.0%
82668-96-0 / 9-hydroxy-6-(3-hydroxy-4,5-dimethoxyphenyl)-4,7-dimethoxy-[1,3]dioxolo[4,5-g]chromen-8-one
Basic Information
CAS
82668-96-0
Multi CAS
No
Molecular Formula
C20H18O10
Molecular Weight
418.300000
Exact Mass
418.089997
InChI
InChI=1S/C20H18O10/c1-24-10-6-8(5-9(21)15(10)25-2)14-17(26-3)12(22)11-13(23)18-20(29-7-28-18)19(27-4)16(11)30-14/h5-6,21,23H,7H2,1-4H3
InChIKey
XCKSFSPZLWEYBW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
16
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
10
H-bond donors
2
Molar refractivity
103.58
TPSA
126.05
LogP / Solubility
WLOGP
2.63
MLOGP
2.34
XLogP3
2.9
Consensus LogP
2.62
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.17
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)
-3.4
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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