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CAS 1168-42-9 Scutellarein Tetramethyl Ether molecular structure lightbox
CAS RN: 1168-42-9

Scutellarein Tetramethyl Ether

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7 package records7 with current stock2 grade groups
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Batchno.20260107 5mg / 10mg / 25mg / 50mg Confirm by inquiry Shanghai 8-10 business days Inquiry
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  • Product code: ICTT3970
  • Purity/Analytical Methods: >98.0%(HPLC)
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1168-42-9 / 5,6,7-trimethoxy-2-(4-methoxyphenyl)chromen-4-one

4',5,6,7-Tetramethoxyflavone | Tetramethyl-O-scutellarin | Tetramethylscutellarein

Standard CAS: 1168-42-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
1168-42-9
Multi CAS
Yes
Molecular Formula
C19H18O6
Molecular Weight
342.300000
Exact Mass
342.110338
SMILES
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC
InChI
InChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)14-9-13(20)17-15(25-14)10-16(22-2)18(23-3)19(17)24-4/h5-10H,1-4H3
InChIKey
URSUMOWUGDXZHU-UHFFFAOYSA-N
Synonyms
4',5,6,7-Tetramethoxyflavone Tetramethyl-O-scutellarin Tetramethylscutellarein 5,6,7,4'-Tetramethoxyflavone 5,6,7-trimethoxy-2-(4-methoxyphenyl)chromen-4-one

Physical Properties

Melting Point
166 - 167 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.21
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
94.13
TPSA
67.13

LogP / Solubility

WLOGP
3.49
MLOGP
3.09
XLogP3
3.1
Consensus LogP
3.23
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.39
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
No
Log Kp (skin permeation)
-2.33

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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