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CAS 343348-19-6 5-nitro-1-benzothiophen-3(2H)-one 1,1-dioxide molecular structure lightbox
CAS RN: 343348-19-6

5-nitro-1-benzothiophen-3(2H)-one 1,1-dioxide

  • Product code: SSC-140684
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 0.25g, 0.1g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 343348-19-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 5 In Stock Beijing Inquiry
0.25g ≥95% 4 In Stock Hong Kong Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

343348-19-6 / 5-nitro-1,1-dioxo-1-benzothiophen-3-one

Standard CAS: 343348-19-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
343348-19-6
Multi CAS
No
Molecular Formula
C8H5NO5S
Molecular Weight
227.200000
Exact Mass
226.988843
InChI
InChI=1S/C8H5NO5S/c10-7-4-15(13,14)8-2-1-5(9(11)12)3-6(7)8/h1-3H,4H2
InChIKey
FRVJPCXMCXAHGL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
49.48
TPSA
94.35

LogP / Solubility

WLOGP
0.56
MLOGP
0.5
XLogP3
0.6
Consensus LogP
0.55
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-3.7

Drug-likeness / Medicinal Chemistry

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

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