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: 25g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 25g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
360-95-2 / 2,2,2-trifluoro-1-morpholin-4-ylethanone
Basic Information
CAS
360-95-2
Multi CAS
No
Molecular Formula
C6F3H8NO2
Molecular Weight
183.130000
Exact Mass
183.050713
InChI
InChI=1S/C6H8F3NO2/c7-6(8,9)5(11)10-1-3-12-4-2-10/h1-4H2
InChIKey
UTPCRKXZUFAUIB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.83
H-bond acceptors
2
Molar refractivity
33.45
TPSA
29.54
LogP / Solubility
WLOGP
0.41
MLOGP
0.36
XLogP3
0.5
Consensus LogP
0.42
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.19
Class (SILICOS-IT)
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)
-3.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
