CAS RN: 22688-79-5
QUERCETIN-3-O-GLUCURONIDE
Product Availability
Choose a grade to view its available package options.
10 package records10 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251211 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260106 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250513 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250705 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250930 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260516 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260420 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS22688-79-5
- Purity/Analytical Methods: >99.0%
22688-79-5 / (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Basic Information
CAS
22688-79-5
Multi CAS
No
Molecular Formula
C21H18O13
Molecular Weight
478.400000
Exact Mass
478.074741
SMILES
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O
InChI
InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1
InChIKey
DUBCCGAQYVUYEU-ZUGPOPFOSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
16
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
12
H-bond donors
8
Molar refractivity
109.52
TPSA
227.58
LogP / Solubility
WLOGP
-0.45
MLOGP
-0.36
XLogP3
0.6
Consensus LogP
-0.07
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.88
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)
-5.96
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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