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CAS 1208538-52-6 4-Bromo-2-(methylsulfonyl)pyrimidine molecular structure lightbox
CAS RN: 1208538-52-6

4-Bromo-2-(methylsulfonyl)pyrimidine

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250405 100mg In stock Inquiry
Batchno.20250927 1g In stock Inquiry
Batchno.20250129 250mg In stock Inquiry
Batchno.20250126 25mg In stock Inquiry
Batchno.20250601 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260402 25mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-022196
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1208538-52-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥98% 0 Out of Stock Hong Kong Inquiry
0.25g ≥98% 0 Out of Stock Shenzhen Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry
5g ≥98% 0 Out of Stock Shenzhen Inquiry

1208538-52-6 / 4-bromo-2-methylsulfonylpyrimidine

4-Bromo-2-(methylsulfonyl)pyrimidine | 4-bromo-2-methylsulfonylpyrimidine | MFCD12406118

Standard CAS: 1208538-52-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1208538-52-6
Multi CAS
Yes
Molecular Formula
C5H5BrN2O2S
Molecular Weight
237.080000
Exact Mass
235.925510
SMILES
CS(=O)(=O)C1=NC=CC(=N1)Br
InChI
InChI=1S/C5H5BrN2O2S/c1-11(9,10)5-7-3-2-4(6)8-5/h2-3H,1H3
InChIKey
YOTSMHQEKCYLQI-UHFFFAOYSA-N
Synonyms
4-Bromo-2-(methylsulfonyl)pyrimidine 4-bromo-2-methylsulfonylpyrimidine MFCD12406118 4-bromo-2-methylsulfonyl-pyrimidine 4-Bromo-2-(methanesulfonyl)pyrimidine

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
42.84
TPSA
59.92

LogP / Solubility

WLOGP
0.64
MLOGP
0.57
XLogP3
0.8
Consensus LogP
0.67
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
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)
-3.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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