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CAS 52538-46-2 5,7-Dihydroxychromone 7-rutinoside molecular structure lightbox
CAS RN: 52538-46-2

5,7-Dihydroxychromone 7-rutinoside

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260314 2mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS52538-46-2
  • Purity/Analytical Methods: >99.0%
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52538-46-2 / 5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

Standard CAS: 52538-46-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52538-46-2
Multi CAS
Yes
Molecular Formula
C21H26O13
Molecular Weight
486.400000
Exact Mass
486.137341
InChI
InChI=1S/C21H26O13/c1-7-14(24)16(26)18(28)20(32-7)31-6-12-15(25)17(27)19(29)21(34-12)33-8-4-10(23)13-9(22)2-3-30-11(13)5-8/h2-5,7,12,14-21,23-29H,6H2,1H3/t7-,12-,14-,15-,16+,17+,18+,19-,20+,21-/m1/s1
InChIKey
VRENMLJKIZWCDO-OMBWQCGDSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
10
Fraction Csp3
0.57
Rotatable bonds
5
H-bond acceptors
13
H-bond donors
7
Molar refractivity
109.77
TPSA
208.74

LogP / Solubility

WLOGP
-2.47
MLOGP
-2.14
XLogP3
-2.1
Consensus LogP
-2.24
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
Class (SILICOS-IT)
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)
-7.44

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8

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