CAS RN: 1247-97-8
QUERCETIN-3,5,7,3′,4′-PENTAMETHYL ETHER
Product Availability
Choose a grade to view its available package options.
6 package records3 with current stock3 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260423 | 1mg / 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1247-97-8
- Purity/Analytical Methods: >99.0%
1247-97-8 / 2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxychromen-4-one
Basic Information
CAS
1247-97-8
Multi CAS
No
Molecular Formula
C20H20O7
Molecular Weight
372.400000
Exact Mass
372.120903
SMILES
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3OC)OC)OC)OC
InChI
InChI=1S/C20H20O7/c1-22-12-9-15(25-4)17-16(10-12)27-19(20(26-5)18(17)21)11-6-7-13(23-2)14(8-11)24-3/h6-10H,1-5H3
InChIKey
ALGDHWVALRSLBT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
16
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
7
Molar refractivity
100.68
TPSA
76.36
LogP / Solubility
WLOGP
3.5
MLOGP
3.1
XLogP3
3.2
Consensus LogP
3.27
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.71
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.5
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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