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CAS 18103-41-8 2-(3,4,5-Trimethoxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one molecular structure lightbox
CAS RN: 18103-41-8

2-(3,4,5-Trimethoxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one

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3 package records0 with current stock1 grade group
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Batchno.20251119 100mg Out of stock Inquiry
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  • Product code: starshine_CAS18103-41-8
  • Purity/Analytical Methods: >99.0%
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18103-41-8 / 5-hydroxy-7-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one

Standard CAS: 18103-41-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18103-41-8
Multi CAS
No
Molecular Formula
C19H18O7
Molecular Weight
358.300000
Exact Mass
358.105253
SMILES
COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C(=C3)OC)OC)OC)O
InChI
InChI=1S/C19H18O7/c1-22-11-7-12(20)18-13(21)9-14(26-15(18)8-11)10-5-16(23-2)19(25-4)17(6-10)24-3/h5-9,20H,1-4H3
InChIKey
FLCVGMVLNHYJAW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
16
Fraction Csp3
0.21
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
95.79
TPSA
87.36

LogP / Solubility

WLOGP
3.2
MLOGP
2.84
XLogP3
2.3
Consensus LogP
2.78
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.25
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
Yes
Log Kp (skin permeation)
-2.63

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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