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CAS 5344-48-9 2-Carboxy-5-nitrobenzenesulfonic acid potassium salt molecular structure lightbox
CAS RN: 5344-48-9

2-Carboxy-5-nitrobenzenesulfonic acid potassium salt

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260416 100g Out of stock Inquiry
Batchno.20250519 1g In stock Shanghai Inquiry
Batchno.20250512 25g Out of stock Inquiry
Batchno.20250809 5g In stock Shanghai Inquiry
  • Product code: SSC-160775
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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: 1g
  • 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 5344-48-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

5344-48-9 / potassium 4-nitro-2-sulfobenzoate

Standard CAS: 5344-48-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5344-48-9
Multi CAS
Yes
Molecular Formula
C7H4KNO7S
Molecular Weight
285.270000
Exact Mass
284.934554
InChI
InChI=1S/C7H5NO7S/c9-7(10)5-2-1-4(8(11)12)3-6(5)16(13,14)15/h1-3H,(H,9,10)(H,13,14,15)
InChIKey
LCOPFDUKOIUDFD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
47.24
TPSA
137.64

LogP / Solubility

WLOGP
-3.79
MLOGP
-3.33
XLogP3
-3.79
Consensus LogP
-3.64
Log S (ESOL)
0.72
Class (ESOL)
Highly soluble
Log S (Ali)
0.84
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.27
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)
-7.15

Drug-likeness / Medicinal Chemistry

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

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