CAS RN: 29043-07-0
3′,4′,5′,5,6,7-HEXAMETHOXYFLAVONE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250523 | 10mg | Out of stock | Inquiry |
- Product code: starshine_CAS29043-07-0
- Purity/Analytical Methods: >99.0%
29043-07-0 / 5,6,7-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
Basic Information
CAS
29043-07-0
Multi CAS
Yes
Molecular Formula
C21H22O8
Molecular Weight
402.400000
Exact Mass
402.131468
InChI
InChI=1S/C21H22O8/c1-23-15-7-11(8-16(24-2)19(15)26-4)13-9-12(22)18-14(29-13)10-17(25-3)20(27-5)21(18)28-6/h7-10H,1-6H3
InChIKey
DYDFNKUHYXHWFM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
16
Fraction Csp3
0.29
Rotatable bonds
7
H-bond acceptors
8
Molar refractivity
107.23
TPSA
85.59
LogP / Solubility
WLOGP
3.51
MLOGP
3.11
XLogP3
3
Consensus LogP
3.21
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.03
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)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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