CAS RN: 51415-02-2
chikusetsu saponin IVa
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250801 | 1mg / 5mg / 25mg / 100mg | Confirm by inquiry | Shandong, Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS51415-02-2
- Purity/Analytical Methods: >99.0%
51415-02-2 / (2S,3S,4S,5R,6R)-6-[[(6aR,6bS,8aS,12aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Basic Information
CAS
51415-02-2
Multi CAS
Yes
Molecular Formula
C42H66O14
Molecular Weight
795.000000
Exact Mass
794.445257
InChI
InChI=1S/C42H66O14/c1-37(2)14-16-42(36(52)56-34-30(48)27(45)26(44)22(19-43)53-34)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-31(49)28(46)29(47)32(55-35)33(50)51/h8,21-32,34-35,43-49H,9-19H2,1-7H3,(H,50,51)/t21-,22+,23-,24+,25-,26+,27-,28-,29-,30+,31+,32-,34-,35+,39-,40+,41+,42-/m0/s1
InChIKey
YOSRLTNUOCHBEA-SGVKAIFKSA-N
Computed Properties
Structural Parameters
Heavy atom count
56
Fraction Csp3
0.9
Rotatable bonds
6
H-bond acceptors
13
H-bond donors
8
Molar refractivity
198.09
TPSA
232.9
LogP / Solubility
WLOGP
2.41
MLOGP
2.19
XLogP3
4.3
Consensus LogP
2.97
Log S (ESOL)
-5.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.55
Class (SILICOS-IT)
Insoluble
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)
-5.86
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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![CAS 51415-08-8 (3S)-8α-Vinyl-3a,5aβ,7,8,9,10,10aα,10cβ-octahydro-3α-hydroxy-3aβ,8-dimethyl-4H-3,10bβ-ethano-1H,3H-benzo[h]furo[4,3,2-de]-2-benzopyran-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/51415-08-8.gif)
