CAS RN: 261953-48-4
1H-Indazole,6-(Methylsulfonyl)-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250801 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS261953-48-4
- Purity/Analytical Methods: >99.0%
261953-48-4 / 6-methylsulfonyl-1H-indazole
Basic Information
CAS
261953-48-4
Multi CAS
No
Molecular Formula
C8H8N2O2S
Molecular Weight
196.230000
Exact Mass
196.030649
SMILES
CS(=O)(=O)C1=CC2=C(C=C1)C=NN2
InChI
InChI=1S/C8H8N2O2S/c1-13(11,12)7-3-2-6-5-9-10-8(6)4-7/h2-5H,1H3,(H,9,10)
InChIKey
XKPZHKXZWDTBOR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.2
TPSA
62.82
LogP / Solubility
WLOGP
0.97
MLOGP
0.85
XLogP3
1.5
Consensus LogP
1.11
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
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)
-3.23
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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