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CAS 885-62-1 Sodium 2,4-Dinitrobenzenesulfonate molecular structure lightbox
CAS RN: 885-62-1

Sodium 2,4-Dinitrobenzenesulfonate

  • Product code: SSC-199206
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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: 25g
  • 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 885-62-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry

885-62-1 / sodium 2,4-dinitrobenzenesulfonate

Standard CAS: 885-62-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
885-62-1
Multi CAS
Yes
Molecular Formula
C6H3N2NAO7S
Molecular Weight
270.150000
Exact Mass
269.955866
InChI
InChI=1S/C6H4N2O7S.Na/c9-7(10)4-1-2-6(16(13,14)15)5(3-4)8(11)12;/h1-3H,(H,13,14,15);/q;+1/p-1
InChIKey
GSBYVRKLPCSLNV-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Rotatable bonds
3
H-bond acceptors
7
Molar refractivity
47.71
TPSA
143.48

LogP / Solubility

WLOGP
-2.59
MLOGP
-2.27
XLogP3
-2.59
Consensus LogP
-2.48
Log S (ESOL)
0.05
Class (ESOL)
Highly soluble
Log S (Ali)
0.09
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.37
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)
-6.21

Drug-likeness / Medicinal Chemistry

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

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