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CAS 32014-22-5 sodium alpha-bromo-p-toluenesulphonate molecular structure lightbox
CAS RN: 32014-22-5

sodium alpha-bromo-p-toluenesulphonate

  • Product code: SSC-137481
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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: 0.25g
  • 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 32014-22-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

32014-22-5 / sodium 4-(bromomethyl)benzenesulfonate

Standard CAS: 32014-22-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
32014-22-5
Multi CAS
Yes
Molecular Formula
C7H6BRNAO3S
Molecular Weight
273.080000
Exact Mass
271.911870
InChI
InChI=1S/C7H7BrO3S.Na/c8-5-6-1-3-7(4-2-6)12(9,10)11;/h1-4H,5H2,(H,9,10,11);/q;+1/p-1
InChIKey
VUIRTEIRZXTTPR-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
47.04
TPSA
57.2

LogP / Solubility

WLOGP
-1.51
MLOGP
-1.32
XLogP3
-1.51
Consensus LogP
-1.45
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-0.71
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.42
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.46

Drug-likeness / Medicinal Chemistry

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

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