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CAS 26978-65-4 2-Bromo-1-ethanesulfonic acid molecular structure lightbox
CAS RN: 26978-65-4

2-Bromo-1-ethanesulfonic acid

  • Product code: SSC-125489
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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
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 26978-65-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Beijing Inquiry
0.25g >95% 5 In Stock Beijing Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
10g >95% 5 In Stock Beijing Inquiry
5g >95% 1 In Stock Beijing Inquiry

26978-65-4 / 2-bromoethanesulfonic acid

Standard CAS: 26978-65-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26978-65-4
Multi CAS
No
Molecular Formula
C2H5BrO3S
Molecular Weight
189.030000
Exact Mass
187.914280
SMILES
C(CBr)S(=O)(=O)O
InChI
InChI=1S/C2H5BrO3S/c3-1-2-7(4,5)6/h1-2H2,(H,4,5,6)
InChIKey
OQFSYHWITGFERZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
30.21
TPSA
54.37

LogP / Solubility

WLOGP
0.27
MLOGP
0.24
XLogP3
-0.1
Consensus LogP
0.14
Log S (ESOL)
-1.05
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
Class (SILICOS-IT)
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)
-3.68

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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