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CAS 20979-50-4 7,4′-DIMETHOXYFLAVONE molecular structure lightbox
CAS RN: 20979-50-4

7,4′-DIMETHOXYFLAVONE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250629 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS20979-50-4
  • Purity/Analytical Methods: >99.0%
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20979-50-4 / 7-methoxy-2-(4-methoxyphenyl)chromen-4-one

Standard CAS: 20979-50-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20979-50-4
Multi CAS
No
Molecular Formula
C17H14O4
Molecular Weight
282.290000
Exact Mass
282.089209
SMILES
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)OC
InChI
InChI=1S/C17H14O4/c1-19-12-5-3-11(4-6-12)16-10-15(18)14-8-7-13(20-2)9-17(14)21-16/h3-10H,1-2H3
InChIKey
LGTXUFBDCDFQIU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
81.02
TPSA
48.67

LogP / Solubility

WLOGP
3.48
MLOGP
3.07
XLogP3
3.9
Consensus LogP
3.48
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.74
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97

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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