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CAS 219298-74-5 2′-HYDROXY-3,4,5,6′-TETRAMETHOXYCHALCONE molecular structure lightbox
CAS RN: 219298-74-5

2′-HYDROXY-3,4,5,6′-TETRAMETHOXYCHALCONE

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250605 5mg Out of stock 30 business days Inquiry
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Batchno.20260518 5mg Out of stock Inquiry
  • Product code: starshine_CAS219298-74-5
  • Purity/Analytical Methods: >99.0%
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219298-74-5 / (E)-3-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-1-phenylprop-2-en-1-one

Standard CAS: 219298-74-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
219298-74-5
Multi CAS
No
Molecular Formula
C19H20O6
Molecular Weight
344.400000
Exact Mass
344.125988
SMILES
COC1=C(C(=C(C(=C1/C=C/C(=O)C2=CC=CC=C2)O)OC)OC)OC
InChI
InChI=1S/C19H20O6/c1-22-16-13(10-11-14(20)12-8-6-5-7-9-12)15(21)17(23-2)19(25-4)18(16)24-3/h5-11,21H,1-4H3/b11-10+
InChIKey
WKHFCYYMOLJMDZ-ZHACJKMWSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
1
Molar refractivity
94.12
TPSA
74.22

LogP / Solubility

WLOGP
3.32
MLOGP
2.94
XLogP3
3.2
Consensus LogP
3.15
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
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)
-2.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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