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CAS 6743-92-6 3′-O-Methylquercetin 3-galactoside molecular structure lightbox
CAS RN: 6743-92-6

3′-O-Methylquercetin 3-galactoside

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5 package records2 with current stock2 grade groups
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Batchno.20250524 5mg Out of stock 5-7 business days Inquiry
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  • Product code: starshine_CAS6743-92-6
  • Purity/Analytical Methods: >99.0%
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6743-92-6 / 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Standard CAS: 6743-92-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6743-92-6
Multi CAS
Yes
Molecular Formula
C22H22O12
Molecular Weight
478.400000
Exact Mass
478.111126
InChI
InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1
InChIKey
CQLRUIIRRZYHHS-UVHBULKNSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
16
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
12
H-bond donors
7
Molar refractivity
113.86
TPSA
199.51

LogP / Solubility

WLOGP
-0.24
MLOGP
-0.17
XLogP3
0.7
Consensus LogP
0.1
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.17
Class (SILICOS-IT)
Poorly 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)
-5.81

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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