CAS RN: 35762-87-9
Pyrimidine-2-sulfonyl Fluoride
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: ICTP2465
- Purity/Analytical Methods: >98.0%(GC)
35762-87-9 / pyrimidine-2-sulfonyl fluoride
Basic Information
CAS
35762-87-9
Multi CAS
Yes
Molecular Formula
C4FH3N2O2S
Molecular Weight
162.140000
Exact Mass
161.989927
InChI
InChI=1S/C4H3FN2O2S/c5-10(8,9)4-6-2-1-3-7-4/h1-3H
InChIKey
HMZIGHBQOOGZAK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
30.33
TPSA
59.92
LogP / Solubility
WLOGP
0.13
MLOGP
0.11
XLogP3
0.3
Consensus LogP
0.18
Log S (ESOL)
-1.31
Class (ESOL)
Soluble
Log S (Ali)
-0.99
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.95
Class (SILICOS-IT)
Very 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)
-3.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
