CAS RN: 68298-12-4
N-(Methyl)nonafluorobutanesulfonamide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250118 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS68298-12-4
- Purity/Analytical Methods: >99.0%
68298-12-4 / 1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide
Basic Information
CAS
68298-12-4
Multi CAS
Yes
Molecular Formula
C5F9H4NO2S
Molecular Weight
313.140000
Exact Mass
312.981903
InChI
InChI=1S/C5H4F9NO2S/c1-15-18(16,17)5(13,14)3(8,9)2(6,7)4(10,11)12/h15H,1H3
InChIKey
GFZPUWKGPNHWHD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.88
TPSA
46.17
LogP / Solubility
WLOGP
1.96
MLOGP
1.74
XLogP3
2.6
Consensus LogP
2.1
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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