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CAS 52222-74-9 KaeMpferol-4′-O-β-D-glucopyranoside molecular structure lightbox
CAS RN: 52222-74-9

KaeMpferol-4′-O-β-D-glucopyranoside

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260416 5mg Out of stock 15 business days Inquiry
Batchno.20250712 5mg Out of stock Inquiry
  • Product code: starshine_CAS52222-74-9
  • Purity/Analytical Methods: >99.0%
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52222-74-9 / 3,5,7-trihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one

Standard CAS: 52222-74-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52222-74-9
Multi CAS
Yes
Molecular Formula
C21H20O11
Molecular Weight
448.400000
Exact Mass
448.100561
InChI
InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-3-1-8(2-4-10)20-18(28)16(26)14-11(24)5-9(23)6-12(14)31-20/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1
InChIKey
AUCGRWHWAGXNQS-HMGRVEAOSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
16
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
11
H-bond donors
7
Molar refractivity
107.31
TPSA
190.28

LogP / Solubility

WLOGP
-0.24
MLOGP
-0.19
XLogP3
0.1
Consensus LogP
-0.11
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.85
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)
-5.63

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5

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