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CAS 491-50-9 Quercetin-7-O-β-D-glucopyranoside molecular structure lightbox
CAS RN: 491-50-9

Quercetin-7-O-β-D-glucopyranoside

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251208 10mg In stock Shanghai, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250130 100mg Out of stock Inquiry
Batchno.20260515 25mg In stock Shanghai Inquiry
Batchno.20260507 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS491-50-9
  • Purity/Analytical Methods: >99.0%
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491-50-9 / 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Standard CAS: 491-50-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
491-50-9
Multi CAS
Yes
Molecular Formula
C21H20O12
Molecular Weight
464.400000
Exact Mass
464.095476
InChI
InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1
InChIKey
BBFYUPYFXSSMNV-HMGRVEAOSA-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
0.4
Consensus LogP
-0.19
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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