![CAS 317338-46-8 (1,4-Dioxa-spiro[4.5]dec-8-YL)-acetic acid Methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/317338-46-8.gif)
CAS RN: 317338-46-8
(1,4-Dioxa-spiro[4.5]dec-8-YL)-acetic acid Methyl ester
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.20260415 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS317338-46-8
- Purity/Analytical Methods: >99.0%
317338-46-8 / methyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate
Basic Information
CAS
317338-46-8
Multi CAS
No
Molecular Formula
C11H18O4
Molecular Weight
214.260000
Exact Mass
214.120509
InChI
InChI=1S/C11H18O4/c1-13-10(12)8-9-2-4-11(5-3-9)14-6-7-15-11/h9H,2-8H2,1H3
InChIKey
WTSFUIKKIMELKH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
53.23
TPSA
44.76
LogP / Solubility
WLOGP
1.48
MLOGP
1.31
XLogP3
1
Consensus LogP
1.26
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-2.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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