CAS RN: 55692-87-0
(2R,3S,4S,5R,6S)-2-(Acetoxymethyl)-6-(isopropylthio)tetrahydro-2H-pyran-3,4,5-triyl triacetate
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250721 | 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS55692-87-0
- Purity/Analytical Methods: >99.0%
55692-87-0 / [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-propan-2-ylsulfanyloxan-2-yl]methyl acetate
Basic Information
CAS
55692-87-0
Multi CAS
Yes
Molecular Formula
C17H26O9S
Molecular Weight
406.400000
Exact Mass
406.129754
InChI
InChI=1S/C17H26O9S/c1-8(2)27-17-16(25-12(6)21)15(24-11(5)20)14(23-10(4)19)13(26-17)7-22-9(3)18/h8,13-17H,7H2,1-6H3/t13-,14+,15+,16-,17+/m1/s1
InChIKey
MTKXENHSHOOVMI-HMDCTGQHSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Fraction Csp3
0.76
Rotatable bonds
7
H-bond acceptors
10
Molar refractivity
94.68
TPSA
114.43
LogP / Solubility
WLOGP
1.21
MLOGP
1.09
XLogP3
2.2
Consensus LogP
1.5
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-4.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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![CAS 55700-58-8 (3S,6R)-6-[(1R,3aR,4E,7aS)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidene-cyc lohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-y l]-2-methyl-heptane-2,3-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/55700-58-8.gif)