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CAS 62473-95-4 1,2-BENZISOTHIAZOL-3(2H)-ONE, 6-METHOXY, 1,1-DIOXIDE molecular structure lightbox
CAS RN: 62473-95-4

1,2-BENZISOTHIAZOL-3(2H)-ONE, 6-METHOXY, 1,1-DIOXIDE

  • Product code: SSC-171628
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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: ≥95%
  • 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 62473-95-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

62473-95-4 / 6-methoxy-1,1-dioxo-1,2-benzothiazol-3-one

Standard CAS: 62473-95-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
62473-95-4
Multi CAS
No
Molecular Formula
C8H7NO4S
Molecular Weight
213.210000
Exact Mass
213.009579
InChI
InChI=1S/C8H7NO4S/c1-13-5-2-3-6-7(4-5)14(11,12)9-8(6)10/h2-4H,1H3,(H,9,10)
InChIKey
FGWXGHBHIOINCJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
47.65
TPSA
72.47

LogP / Solubility

WLOGP
0.13
MLOGP
0.11
XLogP3
0.9
Consensus LogP
0.38
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.27
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)
-3.93

Drug-likeness / Medicinal Chemistry

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

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