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CAS 340774-59-6 3-Hydroxy-2,3-dihydro-benzothiophene-1,1- dione molecular structure lightbox
CAS RN: 340774-59-6

3-Hydroxy-2,3-dihydro-benzothiophene-1,1- dione

  • Product code: SSC-140300
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 4
  • 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 340774-59-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 1 In Stock Beijing Inquiry
0.25g ≥97% 1 In Stock Shanghai Inquiry
1g ≥97% 1 In Stock Beijing Inquiry
5g ≥97% 1 In Stock Shanghai Inquiry

340774-59-6 / 1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol

Standard CAS: 340774-59-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
340774-59-6
Multi CAS
Yes
Molecular Formula
C8H8O3S
Molecular Weight
184.210000
Exact Mass
184.019415
InChI
InChI=1S/C8H8O3S/c9-7-5-12(10,11)8-4-2-1-3-6(7)8/h1-4,7,9H,5H2
InChIKey
RVSZMOUZQCRNKH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.45
TPSA
54.37

LogP / Solubility

WLOGP
0.51
MLOGP
0.44
XLogP3
0.1
Consensus LogP
0.35
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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