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CAS 207596-29-0 Sodium 1-octanesulfonate monohydrate, 离子对色谱级 molecular structure lightbox
CAS RN: 207596-29-0

Sodium 1-octanesulfonate monohydrate, 离子对色谱级

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250405 100g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20251112 1kg In stock Shanghai Inquiry
Batchno.20251025 25g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250201 500g In stock Shanghai, Chengdu Inquiry
Batchno.20251210 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250615 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Hebei, Chongqing, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250104 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: SSC-097703
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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 207596-29-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Hong Kong Inquiry

207596-29-0 / sodium;octane-1-sulfonate;hydrate

Standard CAS: 207596-29-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
207596-29-0
Multi CAS
No
Molecular Formula
C8H19NaO4S
Molecular Weight
234.290000
Exact Mass
234.090175
SMILES
CCCCCCCCS(=O)(=O)[O-].O.[Na+]
InChI
InChI=1S/C8H18O3S.Na.H2O/c1-2-3-4-5-6-7-8-12(9,10)11;;/h2-8H2,1H3,(H,9,10,11);;1H2/q;+1;/p-1
InChIKey
MBURIAHQXJQKRE-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.55
TPSA
88.7

LogP / Solubility

WLOGP
-1.93
MLOGP
-1.69
XLogP3
-1.93
Consensus LogP
-1.85
Log S (ESOL)
0.38
Class (ESOL)
Highly soluble
Log S (Ali)
-0.09
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)
-5.52

Drug-likeness / Medicinal Chemistry

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

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