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CAS 828270-58-2 2-Fluoro-5-(Methylsulfonyl)toluene molecular structure lightbox
CAS RN: 828270-58-2

2-Fluoro-5-(Methylsulfonyl)toluene

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250120 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250607 100mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250710 1g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250610 250mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251023 5g Out of stock Inquiry
  • Product code: SSC-190865
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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: 1g, 0.25g, 0.1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 828270-58-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

828270-58-2 / 1-fluoro-2-methyl-4-methylsulfonylbenzene

Standard CAS: 828270-58-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
828270-58-2
Multi CAS
No
Molecular Formula
C8FH9O2S
Molecular Weight
188.220000
Exact Mass
188.030729
InChI
InChI=1S/C8H9FO2S/c1-6-5-7(12(2,10)11)3-4-8(6)9/h3-5H,1-2H3
InChIKey
DCBXIJWSGFNBFS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
44.25
TPSA
34.14

LogP / Solubility

WLOGP
1.54
MLOGP
1.35
XLogP3
1.6
Consensus LogP
1.5
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately 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)
-2.78

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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