![CAS 73046-13-6 (E)-7-Methyl-1,6-dioxaspiro[4.5]decane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/73046-13-6.gif)
CAS RN: 73046-13-6
(E)-7-Methyl-1,6-dioxaspiro[4.5]decane
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.20260418 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS73046-13-6
- Purity/Analytical Methods: >99.0%
73046-13-6 / 7-methyl-1,6-dioxaspiro[4.5]decane
Basic Information
CAS
73046-13-6
Multi CAS
No
Molecular Formula
C9H16O2
Molecular Weight
156.220000
Exact Mass
156.115030
InChI
InChI=1S/C9H16O2/c1-8-4-2-5-9(11-8)6-3-7-10-9/h8H,2-7H2,1H3
InChIKey
XNNASGSBOJGKAZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
2
Molar refractivity
42.32
TPSA
18.46
LogP / Solubility
WLOGP
2.08
MLOGP
1.83
XLogP3
1.7
Consensus LogP
1.87
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
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)
-2.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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