CAS RN: 371-27-7
2,2,2-Trifluoroethyl Butyrate
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250114 | 100g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250307 | 1g | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry |
| Batchno.20260423 | 25g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20251203 | 5g | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry |
- Product code: ICTB2144
- Purity/Analytical Methods: >98.0%(GC)
371-27-7 / 2,2,2-trifluoroethyl butanoate
Basic Information
CAS
371-27-7
Multi CAS
Yes
Molecular Formula
C6F3H9O2
Molecular Weight
170.130000
Exact Mass
170.055464
InChI
InChI=1S/C6H9F3O2/c1-2-3-5(10)11-4-6(7,8)9/h2-4H2,1H3
InChIKey
DEXWRCYOMLUJRF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
31.92
TPSA
26.3
LogP / Solubility
WLOGP
1.89
MLOGP
1.66
XLogP3
2.1
Consensus LogP
1.88
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-2.41
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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- Purity/Analytical method: >98.0%(GC)
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