CAS RN: 262859-70-1
1H-PYRAZOLE, 1-(METHYLSULFONYL)-
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.20260420 | 100mg / 250mg / 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS262859-70-1
- Purity/Analytical Methods: >99.0%
262859-70-1 / 1-methylsulfonylpyrazole
Basic Information
CAS
262859-70-1
Multi CAS
No
Molecular Formula
C4H6N2O2S
Molecular Weight
146.170000
Exact Mass
146.014999
SMILES
CS(=O)(=O)N1C=CC=N1
InChI
InChI=1S/C4H6N2O2S/c1-9(7,8)6-4-2-3-5-6/h2-4H,1H3
InChIKey
WLPACIZIAIUYDM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
32.47
TPSA
51.96
LogP / Solubility
WLOGP
-0.31
MLOGP
-0.28
XLogP3
-0.1
Consensus LogP
-0.23
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-0.54
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.47
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)
-3.83
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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