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CAS 65548-55-2 3′,4′,7,8-TETRAMETHOXYFLAVONE molecular structure lightbox
CAS RN: 65548-55-2

3′,4′,7,8-TETRAMETHOXYFLAVONE

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250320 10mg Out of stock Inquiry
Batchno.20250706 1mg Out of stock Inquiry
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  • Product code: starshine_CAS65548-55-2
  • Purity/Analytical Methods: >99.0%
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65548-55-2 / 2-(3,4-dimethoxyphenyl)-7,8-dimethoxychromen-4-one

Standard CAS: 65548-55-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
65548-55-2
Multi CAS
No
Molecular Formula
C19H18O6
Molecular Weight
342.300000
Exact Mass
342.110338
InChI
InChI=1S/C19H18O6/c1-21-14-7-5-11(9-17(14)23-3)16-10-13(20)12-6-8-15(22-2)19(24-4)18(12)25-16/h5-10H,1-4H3
InChIKey
ZRLWYUNKZNRQLO-UHFFFAOYSA-N

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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