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CAS 207605-40-1 1-PENTANESULFONIC ACID SODIUM SALT MONOHYDRATE molecular structure lightbox
CAS RN: 207605-40-1

1-PENTANESULFONIC ACID SODIUM SALT MONOHYDRATE

Product Availability

Choose a grade to view its available package options.

13 package records13 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260520 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250407 100g In stock Shanghai, Shenzhen Inquiry
Batchno.20260329 25g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20251011 500g In stock Shanghai Inquiry
Batchno.20250408 5g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250628 100g In stock Inquiry
Batchno.20260524 10g In stock Inquiry
Batchno.20260531 1g In stock Inquiry
Batchno.20250827 2.5g In stock Inquiry
Batchno.20250428 25g In stock Inquiry
Batchno.20250727 50g In stock Inquiry
Batchno.20260326 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260329 1g / 10g / 50g / 250g / 1kg Confirm by inquiry Shanghai, Shandong, Chongqing, Guangdong, Hebei Inquiry
  • Product code: SSC-097710
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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 207605-40-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shenzhen Inquiry

207605-40-1 / sodium;pentane-1-sulfonate;hydrate

Standard CAS: 207605-40-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
207605-40-1
Multi CAS
No
Molecular Formula
C5H13NaO4S
Molecular Weight
192.210000
Exact Mass
192.043224
SMILES
CCCCCS(=O)(=O)[O-].O.[Na+]
InChI
InChI=1S/C5H12O3S.Na.H2O/c1-2-3-4-5-9(6,7)8;;/h2-5H2,1H3,(H,6,7,8);;1H2/q;+1;/p-1
InChIKey
FPQYXAFKHLSWTI-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.7
TPSA
88.7

LogP / Solubility

WLOGP
-3.1
MLOGP
-2.73
XLogP3
-3.1
Consensus LogP
-2.98
Log S (ESOL)
1.18
Class (ESOL)
Highly soluble
Log S (Ali)
1.1
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.18
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)
-6.09

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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