CAS RN: 885276-36-8
4,4,4-Trifluorobutyl Hexanoate
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.20260428 | 1g / 5g | Out of stock | 30 business days | Inquiry |
- Product code: LINT904809
885276-36-8 / 4,4,4-trifluorobutyl hexanoate
Basic Information
CAS
885276-36-8
Multi CAS
No
Molecular Formula
C10F3H17O2
Molecular Weight
226.240000
Exact Mass
226.118064
InChI
InChI=1S/C10H17F3O2/c1-2-3-4-6-9(14)15-8-5-7-10(11,12)13/h2-8H2,1H3
InChIKey
BMMXYUIMFXZJIE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
50.39
TPSA
26.3
LogP / Solubility
WLOGP
3.45
MLOGP
3.04
XLogP3
3.9
Consensus LogP
3.46
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.84
Class (SILICOS-IT)
Slightly 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)
-1.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
-
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecan-1-amine
- CAS RN: 139175-50-1
- Product Code: LINH905402
-
4,4,5,5-Tetramethyl-2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3,2-dioxaborolane
- CAS RN: 1813554-41-4
- Product Code: SSC-082457
![CAS 1813554-41-4 4,4,5,5-Tetramethyl-2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3,2-dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1813554-41-4.png)