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: 0.1g, 0.25g, 1g
- Available purity: ≥95%
- Inventory rows with stock: 2
- 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.
379-90-8 / 2,2,3,4,4,4-hexafluorobutanoic acid
Basic Information
CAS
379-90-8
Multi CAS
No
Molecular Formula
C4F6H2O2
Molecular Weight
196.050000
Exact Mass
195.995898
InChI
InChI=1S/C4H2F6O2/c5-1(4(8,9)10)3(6,7)2(11)12/h1H,(H,11,12)
InChIKey
AZLUIEGTKBIKSG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
23.53
TPSA
37.3
LogP / Solubility
WLOGP
1.61
MLOGP
1.41
XLogP3
2
Consensus LogP
1.67
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
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)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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