CAS RN: 82668-93-7
“3,5,8,3′-Tetramethoxy-6,7,4′,5′-bis(methylenedioxy)flavone”
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.20260226 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS82668-93-7
- Purity/Analytical Methods: >99.0%
82668-93-7 / 4,7,9-trimethoxy-6-(7-methoxy-1,3-benzodioxol-5-yl)-[1,3]dioxolo[4,5-g]chromen-8-one
Basic Information
CAS
82668-93-7
Multi CAS
No
Molecular Formula
C21H18O10
Molecular Weight
430.400000
Exact Mass
430.089997
InChI
InChI=1S/C21H18O10/c1-23-10-5-9(6-11-15(10)28-7-27-11)14-18(25-3)13(22)12-16(24-2)20-21(30-8-29-20)19(26-4)17(12)31-14/h5-6H,7-8H2,1-4H3
InChIKey
IFRKPKWNSUEXHO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
16
Fraction Csp3
0.29
Rotatable bonds
5
H-bond acceptors
10
Molar refractivity
106.37
TPSA
104.05
LogP / Solubility
WLOGP
2.95
MLOGP
2.63
XLogP3
2.9
Consensus LogP
2.83
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.51
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)
-3.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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