![CAS 13388-94-8 Spiro[4.5]decan-6-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/13388-94-8.gif)
CAS RN: 13388-94-8
Spiro[4.5]decan-6-one
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.20260419 | 500mg / 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS13388-94-8
- Purity/Analytical Methods: >99.0%
13388-94-8 / spiro[4.5]decan-10-one
Basic Information
CAS
13388-94-8
Multi CAS
No
Molecular Formula
C10H16O
Molecular Weight
152.230000
Exact Mass
152.120115
SMILES
C1CCC2(CCCC2)C(=O)C1
InChI
InChI=1S/C10H16O/c11-9-5-1-2-6-10(9)7-3-4-8-10/h1-8H2
InChIKey
GKGDMKSLPPMIMP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.9
H-bond acceptors
1
Molar refractivity
44.38
TPSA
17.07
LogP / Solubility
WLOGP
2.69
MLOGP
2.36
XLogP3
2.4
Consensus LogP
2.48
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
Class (SILICOS-IT)
Moderately 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)
-1.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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