CAS RN: 13242-55-2
1,6-ANHYDRO-BETA-D-GLUCOSE-2,3,4-TRI-O-ACETATE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250414 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS13242-55-2
- Purity/Analytical Methods: >99.0%
13242-55-2 / [(1R,2R,3S,4R,5R)-3,4-diacetyloxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate
Basic Information
CAS
13242-55-2
Multi CAS
No
Molecular Formula
C12H16O8
Molecular Weight
288.250000
Exact Mass
288.084517
SMILES
CC(=O)O[C@@H]1[C@H]2CO[C@H](O2)[C@@H]([C@H]1OC(=O)C)OC(=O)C
InChI
InChI=1S/C12H16O8/c1-5(13)17-9-8-4-16-12(20-8)11(19-7(3)15)10(9)18-6(2)14/h8-12H,4H2,1-3H3/t8-,9-,10+,11-,12-/m1/s1
InChIKey
BAKQMOSGYGQJOJ-RMPHRYRLSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
8
Molar refractivity
61.28
TPSA
97.36
LogP / Solubility
WLOGP
-0.46
MLOGP
-0.4
XLogP3
-0.4
Consensus LogP
-0.42
Log S (ESOL)
-1.14
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
Class (SILICOS-IT)
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)
-4.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
6
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- CAS RN: 13244-75-2
- Product Code: starshine_CAS13244-75-2
- Purity/Analytical method: >99.0%
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