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CAS 36639-50-6 4-Nitrobenzenemethanesulfonic acid sodium salt molecular structure lightbox
CAS RN: 36639-50-6

4-Nitrobenzenemethanesulfonic acid sodium salt

Product Availability

Choose a grade to view its available package options.

11 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251214 100g In stock Inquiry
Batchno.20260213 1g In stock Inquiry
Batchno.20250621 250mg In stock Inquiry
Batchno.20250107 25g In stock Inquiry
Batchno.20251108 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250402 100g Out of stock Inquiry
Batchno.20250304 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251221 1g / 5g / 25g / 100g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batchno.20260227 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20251126 25g In stock Tianjin, Wuhan Inquiry
Batchno.20250421 5g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-143851
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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: 10g
  • 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 36639-50-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry

36639-50-6 / sodium (4-nitrophenyl)methanesulfonate

Standard CAS: 36639-50-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36639-50-6
Multi CAS
Yes
Molecular Formula
C7H6NNAO5S
Molecular Weight
239.180000
Exact Mass
238.986438
InChI
InChI=1S/C7H7NO5S.Na/c9-8(10)7-3-1-6(2-4-7)5-14(11,12)13;/h1-4H,5H2,(H,11,12,13);/q;+1/p-1
InChIKey
SXZUSZBEGNFCDZ-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
46.5
TPSA
100.34

LogP / Solubility

WLOGP
-2.36
MLOGP
-2.07
XLogP3
-2.36
Consensus LogP
-2.26
Log S (ESOL)
0.06
Class (ESOL)
Highly soluble
Log S (Ali)
0.18
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.38
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)
-5.85

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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