CAS RN: 20482-21-7
8-O-Acetyltorilolone
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.20250623 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS20482-21-7
- Purity/Analytical Methods: >99.0%
20482-21-7 / [(5S,6R,8S,8aR)-5-(2-hydroxypropan-2-yl)-3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-6-yl] acetate
Basic Information
CAS
20482-21-7
Multi CAS
No
Molecular Formula
C17H26O4
Molecular Weight
294.400000
Exact Mass
294.183109
SMILES
C[C@H]1C[C@H]([C@H](CC2=C(C(=O)C[C@H]12)C)C(C)(C)O)OC(=O)C
InChI
InChI=1S/C17H26O4/c1-9-6-16(21-11(3)18)14(17(4,5)20)7-13-10(2)15(19)8-12(9)13/h9,12,14,16,20H,6-8H2,1-5H3/t9-,12+,14-,16+/m0/s1
InChIKey
WGWWLRBCCJXTGQ-UODBANLJSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.76
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
79.55
TPSA
63.6
LogP / Solubility
WLOGP
2.64
MLOGP
2.34
XLogP3
1.6
Consensus LogP
2.19
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5
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