CAS RN: 70961-05-6
ethyl 5,5,5-trifluoro-4-oxopentanoate
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.20250921 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-180646
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g
- Available purity: >95%
- Inventory rows with stock: 1
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | >95% | 5 In Stock | Shanghai | Inquiry |
70961-05-6 / ethyl 5,5,5-trifluoro-4-oxopentanoate
Basic Information
CAS
70961-05-6
Multi CAS
No
Molecular Formula
C7F3H9O3
Molecular Weight
198.140000
Exact Mass
198.050379
InChI
InChI=1S/C7H9F3O3/c1-2-13-6(12)4-3-5(11)7(8,9)10/h2-4H2,1H3
InChIKey
SYCYZTBFHCQFQZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
36.93
TPSA
43.37
LogP / Solubility
WLOGP
1.46
MLOGP
1.29
XLogP3
1.2
Consensus LogP
1.32
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-2.89
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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