CAS RN: 660-12-8
N-BUTANESULFONYL FLUORIDE
Product Availability
Choose a grade to view its available package options.
10 package records8 with current stock4 grade groups
- Product code: starshine_CAS660-12-8
- Purity/Analytical Methods: >99.0%
660-12-8 / butane-1-sulfonyl fluoride
Basic Information
CAS
660-12-8
Multi CAS
No
Molecular Formula
C4FH9O2S
Molecular Weight
140.180000
Exact Mass
140.030729
InChI
InChI=1S/C4H9FO2S/c1-2-3-4-8(5,6)7/h2-4H2,1H3
InChIKey
NHGWSCVQFRCBSV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
29.8
TPSA
34.14
LogP / Solubility
WLOGP
1.09
MLOGP
0.95
XLogP3
1.4
Consensus LogP
1.15
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
Class (SILICOS-IT)
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)
-2.8
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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