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CAS 33554-52-8 3’-Hydroxy-5,7,4’-trimethoxyflavone molecular structure lightbox
CAS RN: 33554-52-8

3’-Hydroxy-5,7,4’-trimethoxyflavone

  • Product code: SSC-139699
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 33554-52-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

33554-52-8 / 2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxychromen-4-one

Standard CAS: 33554-52-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
33554-52-8
Multi CAS
No
Molecular Formula
C18H16O6
Molecular Weight
328.300000
Exact Mass
328.094688
InChI
InChI=1S/C18H16O6/c1-21-11-7-16(23-3)18-13(20)9-15(24-17(18)8-11)10-4-5-14(22-2)12(19)6-10/h4-9,19H,1-3H3
InChIKey
HJYKMYKZGICPGU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
89.24
TPSA
78.13

LogP / Solubility

WLOGP
3.19
MLOGP
2.82
XLogP3
1.8
Consensus LogP
2.6
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
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
Leadlikeness
Yes
Synthetic Accessibility
2.5

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