CAS RN: 51059-44-0

Wogonoside

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8 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250515 100mg In stock Shanghai Inquiry
Batchno.20260110 10mg In stock Shanghai Inquiry
Batchno.20250221 1g Out of stock Inquiry
Batchno.20251010 1mg In stock Shanghai Inquiry
Batchno.20250721 250mg In stock Shanghai Inquiry
Batchno.20250713 50mg In stock Shanghai Inquiry
Batchno.20250805 5mg In stock Shanghai Inquiry
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Batchno.20260119 20mg In stock Inquiry
  • Product code: ICTW0012
  • Purity/Analytical Methods: >98.0%(HPLC)
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51059-44-0 / (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid

Standard CAS: 51059-44-0 Multi CAS: Yes

Basic Information

CAS
51059-44-0
Multi CAS
Yes
Molecular Formula
C22H20O11
Molecular Weight
460.400000
Exact Mass
460.100561
InChI
InChI=1S/C22H20O11/c1-30-18-13(32-22-17(27)15(25)16(26)20(33-22)21(28)29)8-11(24)14-10(23)7-12(31-19(14)18)9-5-3-2-4-6-9/h2-8,15-17,20,22,24-27H,1H3,(H,28,29)/t15-,16-,17+,20-,22+/m0/s1
InChIKey
LNOHXHDWGCMVCO-NTKSAMNMSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
16
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
10
H-bond donors
5
Molar refractivity
111.08
TPSA
176.12

LogP / Solubility

WLOGP
0.45
MLOGP
0.42
XLogP3
1.4
Consensus LogP
0.76
Log S (ESOL)
-3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
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)
-5.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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