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CAS 1032825-02-7 1-Bromo-2-fluoro-4-(methylsulfonyl)benzene molecular structure lightbox
CAS RN: 1032825-02-7

1-Bromo-2-fluoro-4-(methylsulfonyl)benzene

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250813 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-004733
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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: 0.25g, 1g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 1
  • 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 1032825-02-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 4 In Stock Shanghai Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry

1032825-02-7 / 1-bromo-2-fluoro-4-methylsulfonylbenzene

1-Bromo-2-fluoro-4-(methylsulfonyl)benzene | 4-Bromo-3-fluorophenyl methyl sulphone | RefChem:519953

Standard CAS: 1032825-02-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1032825-02-7
Multi CAS
Yes
Molecular Formula
C7H6BrFO2S
Molecular Weight
253.090000
Exact Mass
251.925590
SMILES
CS(=O)(=O)C1=CC(=C(C=C1)Br)F
InChI
InChI=1S/C7H6BrFO2S/c1-12(10,11)5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChIKey
QALKAUDOPSIGEI-UHFFFAOYSA-N
Synonyms
1-Bromo-2-fluoro-4-(methylsulfonyl)benzene 4-Bromo-3-fluorophenyl methyl sulphone RefChem:519953 816-266-3 1-bromo-2-fluoro-4-methylsulfonylbenzene

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
47.21
TPSA
34.14

LogP / Solubility

WLOGP
1.99
MLOGP
1.76
XLogP3
2
Consensus LogP
1.92
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly 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)
-2.85

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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