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CAS 1268816-48-3 5-(Methylsulfonyl)-1H-indazole molecular structure lightbox
CAS RN: 1268816-48-3

5-(Methylsulfonyl)-1H-indazole

  • Product code: SSC-034156
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1268816-48-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Beijing Inquiry
0.25g ≥95% 5 In Stock Hong Kong Inquiry
1g ≥95% 2 In Stock Hong Kong Inquiry
5g ≥95% 1 In Stock Shenzhen Inquiry

1268816-48-3 / 5-methylsulfonyl-1H-indazole

Standard CAS: 1268816-48-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1268816-48-3
Multi CAS
No
Molecular Formula
C8H8N2O2S
Molecular Weight
196.230000
Exact Mass
196.030649
SMILES
CS(=O)(=O)C1=CC2=C(C=C1)NN=C2
InChI
InChI=1S/C8H8N2O2S/c1-13(11,12)7-2-3-8-6(4-7)5-9-10-8/h2-5H,1H3,(H,9,10)
InChIKey
VLCCXHFNVCNWPU-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
1.4
Consensus LogP
1.07
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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