![CAS 865451-84-9 3-[(benzyloxy)methyl]-3-fluorooxetane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/865451-84-9.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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
865451-84-9 / 3-fluoro-3-(phenylmethoxymethyl)oxetane
Basic Information
CAS
865451-84-9
Multi CAS
No
Molecular Formula
C11FH13O2
Molecular Weight
196.220000
Exact Mass
196.089958
InChI
InChI=1S/C11H13FO2/c12-11(8-14-9-11)7-13-6-10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKey
DNPOMCBWQMZHKE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
50.76
TPSA
18.46
LogP / Solubility
WLOGP
1.94
MLOGP
1.71
XLogP3
1.4
Consensus LogP
1.68
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly 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)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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