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CAS 18103-42-9 5,7-DIHYDROXY-3′,4′,5′-TRIMETHOXYFLAVONE molecular structure lightbox
CAS RN: 18103-42-9

5,7-DIHYDROXY-3′,4′,5′-TRIMETHOXYFLAVONE

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2 package records1 with current stock2 grade groups
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Batchno.20250922 5mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS18103-42-9
  • Purity/Analytical Methods: >99.0%
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18103-42-9 / 5,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one

Standard CAS: 18103-42-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
18103-42-9
Multi CAS
No
Molecular Formula
C18H16O7
Molecular Weight
344.300000
Exact Mass
344.089603
SMILES
COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
InChI
InChI=1S/C18H16O7/c1-22-15-4-9(5-16(23-2)18(15)24-3)13-8-12(21)17-11(20)6-10(19)7-14(17)25-13/h4-8,19-20H,1-3H3
InChIKey
CPCPHNWWTJLXKQ-UHFFFAOYSA-N

Physical Properties

Melting Point
272 - 274 °C
Physical Description
Solid
State
Solid

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
Consensus LogP
2.49
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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