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CAS 14533-63-2 Sodium 1-Propanesulfonate [Reagent for Ion-Pair Chromatography] molecular structure lightbox
CAS RN: 14533-63-2

Sodium 1-Propanesulfonate [Reagent for Ion-Pair Chromatography]

Product Availability

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7 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20250507 1g In stock Inquiry
Batchno.20250116 5g In stock Inquiry
Batch No.PackageAvailabilityInquiry
Batchno.20250630 100g Out of stock Inquiry
Batchno.20250728 10g Out of stock Inquiry
Batchno.20260205 1g Out of stock Inquiry
Batchno.20250121 25g Out of stock Inquiry
Batchno.20260518 5g Out of stock Inquiry
  • Product code: SSC-056673
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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: ≥99%
  • 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 14533-63-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥99% 0 Out of Stock Beijing Inquiry

14533-63-2 / sodium propane-1-sulfonate

Standard CAS: 14533-63-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14533-63-2
Multi CAS
No
Molecular Formula
C3H7NaO3S
Molecular Weight
146.140000
Exact Mass
146.001360
SMILES
CCCS(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C3H8O3S.Na/c1-2-3-7(4,5)6;/h2-3H2,1H3,(H,4,5,6);/q;+1/p-1
InChIKey
NPAWNPCNZAPTKA-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
24.86
TPSA
57.2

LogP / Solubility

WLOGP
-3.05
MLOGP
-2.69
XLogP3
-3.05
Consensus LogP
-2.93
Log S (ESOL)
1.31
Class (ESOL)
Highly soluble
Log S (Ali)
1.45
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.69
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)
-5.78

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (95.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (95.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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