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CAS 55788-44-8 Sodium 3-Bromopropanesulfonate molecular structure lightbox
CAS RN: 55788-44-8

Sodium 3-Bromopropanesulfonate

  • Product code: SSC-163745
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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: 100g
  • Available purity: ≥97%
  • 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 55788-44-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shenzhen Inquiry

55788-44-8 / sodium 3-bromopropane-1-sulfonate

Standard CAS: 55788-44-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55788-44-8
Multi CAS
Yes
Molecular Formula
C3H6BRNAO3S
Molecular Weight
225.040000
Exact Mass
223.911870
InChI
InChI=1S/C3H7BrO3S.Na/c4-2-1-3-8(5,6)7;/h1-3H2,(H,5,6,7);/q;+1/p-1
InChIKey
LNZDAVYFINUYOH-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
32.98
TPSA
57.2

LogP / Solubility

WLOGP
-2.68
MLOGP
-2.35
XLogP3
-2.68
Consensus LogP
-2.57
Log S (ESOL)
0.65
Class (ESOL)
Highly soluble
Log S (Ali)
0.53
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.74
Class (SILICOS-IT)
Highly 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)
-6

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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