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CAS 54429-56-0 2-Bromoethanesulfonyl Chloride molecular structure lightbox
CAS RN: 54429-56-0

2-Bromoethanesulfonyl Chloride

  • Product code: SSC-162106
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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, 10g, 5g, 25g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 7
  • 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 54429-56-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shanghai Inquiry
0.25g >95% 5 In Stock Beijing Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
10g >95% 5 In Stock Beijing Inquiry
5g >95% 4 In Stock Shanghai Inquiry
25g >95% 2 In Stock Shenzhen Inquiry
100g >95% 2 In Stock Shenzhen Inquiry

54429-56-0 / 2-bromoethanesulfonyl chloride

Standard CAS: 54429-56-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
54429-56-0
Multi CAS
Yes
Molecular Formula
C2H4BRCLO2S
Molecular Weight
207.470000
Exact Mass
205.880390
InChI
InChI=1S/C2H4BrClO2S/c3-1-2-7(4,5)6/h1-2H2
InChIKey
FPJOBRDFPQKHLI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
33.43
TPSA
34.14

LogP / Solubility

WLOGP
0.95
MLOGP
0.84
XLogP3
1.1
Consensus LogP
0.96
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
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)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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