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CAS 81226-68-8 5-bromo-2-chlorobenzene-1-sulfonyl chloride molecular structure lightbox
CAS RN: 81226-68-8

5-bromo-2-chlorobenzene-1-sulfonyl chloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250411 1g / 5g / 10g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-189756
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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: 5g
  • Available purity: ≥95%
  • 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 81226-68-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

81226-68-8 / 5-bromo-2-chlorobenzenesulfonyl chloride

Standard CAS: 81226-68-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
81226-68-8
Multi CAS
No
Molecular Formula
C6H3BRCL2O2S
Molecular Weight
289.960000
Exact Mass
287.841420
InChI
InChI=1S/C6H3BrCl2O2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H
InChIKey
QWVGJTXXYAIKIB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
52.19
TPSA
34.14

LogP / Solubility

WLOGP
3.03
MLOGP
2.68
XLogP3
3.3
Consensus LogP
3
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly 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)
-2.34

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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