CAS RN: 82668-95-9
“3,5,8,3′,4′,5′-Hexamethoxy-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.20260129 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS82668-95-9
- Purity/Analytical Methods: >99.0%
82668-95-9 / 4,7,9-trimethoxy-6-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one
Basic Information
CAS
82668-95-9
Multi CAS
No
Molecular Formula
C22H22O10
Molecular Weight
446.400000
Exact Mass
446.121297
InChI
InChI=1S/C22H22O10/c1-24-11-7-10(8-12(25-2)16(11)26-3)15-19(28-5)14(23)13-17(27-4)21-22(31-9-30-21)20(29-6)18(13)32-15/h7-8H,9H2,1-6H3
InChIKey
HJYMRTVKQHJJQW-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
Customers Also Viewed
-
“5,5′-Dihydroxy-3,8,3′,4′-tetramethoxy-6,7-methylenedioxyflavone”
- CAS RN: 82668-96-0
- Product Code: starshine_CAS82668-96-0
- Purity/Analytical method: >99.0%
-
“3,5,6,7,8,3′-Hexamethoxy-4′,5′-methylenedioxyflavone”
- CAS RN: 82668-99-3
- Product Code: starshine_CAS82668-99-3
- Purity/Analytical method: >99.0%
-
“5-Hydroxy-3,6,7,8,3′-pentamethoxy-4′,5′-methylenedioxyflavone”
- CAS RN: 82669-01-0
- Product Code: starshine_CAS82669-01-0
- Purity/Analytical method: >99.0%
-
ethyl 2,6-dichloro-5-fluoropyridine-3-carboxylate
- CAS RN: 82671-03-2
- Product Code: starshine_CAS82671-03-2
- Purity/Analytical method: >99.0%
-
-
