CAS RN: 6068-80-0
347TRIMETHOXYQUERCETIN
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250515 | 1mg / 5mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS6068-80-0
- Purity/Analytical Methods: >99.0%
6068-80-0 / 2-(3,4-dimethoxyphenyl)-3,5-dihydroxy-7-methoxychromen-4-one
Basic Information
CAS
6068-80-0
Multi CAS
Yes
Molecular Formula
C18H16O7
Molecular Weight
344.300000
Exact Mass
344.089603
InChI
InChI=1S/C18H16O7/c1-22-10-7-11(19)15-14(8-10)25-18(17(21)16(15)20)9-4-5-12(23-2)13(6-9)24-3/h4-8,19,21H,1-3H3
InChIKey
OEEUHNAUMMATJT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
2
Molar refractivity
90.91
TPSA
98.36
LogP / Solubility
WLOGP
2.9
MLOGP
2.57
XLogP3
2.5
Consensus LogP
2.66
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
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
No
Log Kp (skin permeation)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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