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CAS 32455-43-9 7-[(β-D-Glucopyranosyl)oxy]-3′,4′,5,8-tetrahydroxyflavone molecular structure lightbox
CAS RN: 32455-43-9

7-[(β-D-Glucopyranosyl)oxy]-3′,4′,5,8-tetrahydroxyflavone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250208 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS32455-43-9
  • Purity/Analytical Methods: >99.0%
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32455-43-9 / 2-(3,4-dihydroxyphenyl)-5,8-dihydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Standard CAS: 32455-43-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
32455-43-9
Multi CAS
Yes
Molecular Formula
C21H20O12
Molecular Weight
464.400000
Exact Mass
464.095476
InChI
InChI=1S/C21H20O12/c22-6-14-16(27)18(29)19(30)21(33-14)32-13-5-11(26)15-10(25)4-12(31-20(15)17(13)28)7-1-2-8(23)9(24)3-7/h1-5,14,16,18-19,21-24,26-30H,6H2/t14-,16-,18+,19-,21-/m1/s1
InChIKey
BIPHTXZNUUXTIC-GHNMMOQISA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
16
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
12
H-bond donors
8
Molar refractivity
108.97
TPSA
210.51

LogP / Solubility

WLOGP
-0.54
MLOGP
-0.44
XLogP3
0.2
Consensus LogP
-0.26
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
Class (SILICOS-IT)
Moderately 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)
-5.94

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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