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CAS 312-20-9 1-Bromo-4-[(trifluoromethyl)sulfonyl]benzene molecular structure lightbox
CAS RN: 312-20-9

1-Bromo-4-[(trifluoromethyl)sulfonyl]benzene

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251101 100mg In stock Shanghai Inquiry
Batchno.20251030 10g In stock Shanghai Inquiry
Batchno.20250514 1g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250621 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250630 5g In stock Shanghai Inquiry
  • Product code: SSC-136464
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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: 3
  • 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 312-20-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Shenzhen Inquiry
5g >95% 0 Out of Stock Shanghai Inquiry

312-20-9 / 1-bromo-4-(trifluoromethylsulfonyl)benzene

Standard CAS: 312-20-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
312-20-9
Multi CAS
No
Molecular Formula
BC7H4O2Rf3S
Molecular Weight
289.070000
Exact Mass
287.906750
InChI
InChI=1S/C7H4BrF3O2S/c8-5-1-3-6(4-2-5)14(12,13)7(9,10)11/h1-4H
InChIKey
BRNFLBCPGQCBQQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
47.38
TPSA
34.14

LogP / Solubility

WLOGP
2.74
MLOGP
2.42
XLogP3
3.4
Consensus LogP
2.85
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
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)
-2.54

Drug-likeness / Medicinal Chemistry

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

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