CAS RN: 479-98-1
Aucubin
Product Availability
Choose a grade to view its available package options.
13 package records11 with current stock4 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250114 | 1ml | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251126 | 100mg | In stock | Shanghai, Shandong, Hebei | Inquiry | |
| Batchno.20250729 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20251026 | 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20260513 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250606 | 250mg | In stock | Shandong | Inquiry | |
| Batchno.20250608 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260302 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250202 | 5g | In stock | Shanghai | Inquiry |
- Product code: LINA890229
479-98-1 / (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Basic Information
CAS
479-98-1
Multi CAS
Yes
Molecular Formula
C15H22O9
Molecular Weight
346.330000
Exact Mass
346.126382
InChI
InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1
InChIKey
RJWJHRPNHPHBRN-FKVJWERZSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.73
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
6
Molar refractivity
77.02
TPSA
149.07
LogP / Solubility
WLOGP
-2.8
MLOGP
-2.45
XLogP3
-3
Consensus LogP
-2.75
Log S (ESOL)
0.04
Class (ESOL)
Highly soluble
Log S (Ali)
-0.38
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.07
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
7
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