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CAS 942626-75-7 “5-Hydroxy-7,8,2′,5′-tetraMethoxyflavone 5-O-glucoside” molecular structure lightbox
CAS RN: 942626-75-7

“5-Hydroxy-7,8,2′,5′-tetraMethoxyflavone 5-O-glucoside”

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250123 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS942626-75-7
  • Purity/Analytical Methods: >99.0%
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942626-75-7 / 2-(2,5-dimethoxyphenyl)-7,8-dimethoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Standard CAS: 942626-75-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
942626-75-7
Multi CAS
Yes
Molecular Formula
C25H28O12
Molecular Weight
520.500000
Exact Mass
520.158076
InChI
InChI=1S/C25H28O12/c1-31-11-5-6-14(32-2)12(7-11)15-8-13(27)19-16(9-17(33-3)23(34-4)24(19)35-15)36-25-22(30)21(29)20(28)18(10-26)37-25/h5-9,18,20-22,25-26,28-30H,10H2,1-4H3/t18-,20-,21+,22-,25-/m1/s1
InChIKey
DQPWNQUJEGIJPF-ZOINAQCCSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
16
Fraction Csp3
0.4
Rotatable bonds
8
H-bond acceptors
12
H-bond donors
4
Molar refractivity
128.52
TPSA
166.51

LogP / Solubility

WLOGP
0.67
MLOGP
0.63
XLogP3
0.9
Consensus LogP
0.73
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.42

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7

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