![CAS 186509-54-6 3-[1-(2-methylpropoxy)ethoxy]oxetane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/186509-54-6.gif)
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
186509-54-6 / 3-[1-(2-methylpropoxy)ethoxy]oxetane
Basic Information
CAS
186509-54-6
Multi CAS
No
Molecular Formula
C9H18O3
Molecular Weight
174.240000
Exact Mass
174.125594
SMILES
CC(C)COC(C)OC1COC1
InChI
InChI=1S/C9H18O3/c1-7(2)4-11-8(3)12-9-5-10-6-9/h7-9H,4-6H2,1-3H3
InChIKey
BBRFILKOEVZFFL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
45.94
TPSA
27.69
LogP / Solubility
WLOGP
1.42
MLOGP
1.25
XLogP3
1.5
Consensus LogP
1.39
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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)
-2.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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