CAS RN: 66154-68-5
6-(Methylsulfonyl)nicotinonitrile
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.20251125 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS66154-68-5
- Purity/Analytical Methods: >99.0%
66154-68-5 / 6-methylsulfonylpyridine-3-carbonitrile
Basic Information
CAS
66154-68-5
Multi CAS
No
Molecular Formula
C7H6N2O2S
Molecular Weight
182.200000
Exact Mass
182.014999
InChI
InChI=1S/C7H6N2O2S/c1-12(10,11)7-3-2-6(4-8)5-9-7/h2-3,5H,1H3
InChIKey
MCWUYKLVNZNIIM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
42.06
TPSA
70.82
LogP / Solubility
WLOGP
0.36
MLOGP
0.31
XLogP3
0.1
Consensus LogP
0.26
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.26
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)
-3.58
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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