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CAS 1006202-77-2 4-Bromo-1-(methylsulfonyl)-1H-pyrazole molecular structure lightbox
CAS RN: 1006202-77-2

4-Bromo-1-(methylsulfonyl)-1H-pyrazole

  • Product code: SSC-001222
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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: 5g, 1g, 10g, 25g, 0.1g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • 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 1006202-77-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 5 In Stock Shenzhen Inquiry
1g >95% 4 In Stock Shanghai Inquiry
10g >95% 4 In Stock Shanghai Inquiry
25g >95% 3 In Stock Hong Kong Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry

1006202-77-2 / 4-bromo-1-methylsulfonylpyrazole

4-Bromo-1-(methylsulfonyl)-1H-pyrazole | MFCD06080505 | 4-bromo-1-methylsulfonylpyrazole

Standard CAS: 1006202-77-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1006202-77-2
Multi CAS
No
Molecular Formula
C4H5BrN2O2S
Molecular Weight
225.070000
Exact Mass
223.925510
SMILES
CS(=O)(=O)N1C=C(C=N1)Br
InChI
InChI=1S/C4H5BrN2O2S/c1-10(8,9)7-3-4(5)2-6-7/h2-3H,1H3
InChIKey
RTBDMLSIJQHXKX-UHFFFAOYSA-N
Synonyms
4-Bromo-1-(methylsulfonyl)-1H-pyrazole MFCD06080505 4-bromo-1-methylsulfonylpyrazole 4-bromo-1-methanesulfonyl-1H-pyrazole 4-bromo-1-methylsulfonyl-pyrazole

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
40.17
TPSA
51.96

LogP / Solubility

WLOGP
0.45
MLOGP
0.4
XLogP3
0.6
Consensus LogP
0.48
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
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)
-3.77

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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