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CAS 6155-57-3 o-Sulfobenzimide Sodium Salt Dihydrate molecular structure lightbox
CAS RN: 6155-57-3

o-Sulfobenzimide Sodium Salt Dihydrate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250115 25g / 100g / 500g / 2.5kg / 10kg Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
  • Product code: SSC-170477
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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: 500g
  • 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 6155-57-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ＞97% 0 Out of Stock Shenzhen Inquiry

6155-57-3 / sodium;1,1-dioxo-1,2-benzothiazol-2-id-3-one;dihydrate

Standard CAS: 6155-57-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6155-57-3
Multi CAS
Yes
Molecular Formula
C7H8NNAO5S
Molecular Weight
241.200000
Exact Mass
241.002088
InChI
InChI=1S/C7H5NO3S.Na.2H2O/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;;;/h1-4H,(H,8,9);;2*1H2/q;+1;;/p-1
InChIKey
AYGJDUHQRFKLBG-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.54
TPSA
128.31

LogP / Solubility

WLOGP
-3.74
MLOGP
-3.29
XLogP3
-3.74
Consensus LogP
-3.59
Log S (ESOL)
0.73
Class (ESOL)
Highly soluble
Log S (Ali)
1.16
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.88
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)
-6.85

Drug-likeness / Medicinal Chemistry

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

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