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CAS 86340-94-5 N-Iodosaccharin molecular structure lightbox
CAS RN: 86340-94-5

N-Iodosaccharin

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251124 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-195291
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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: ≥98%
  • 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 86340-94-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry

86340-94-5 / 2-iodo-1,1-dioxo-1,2-benzothiazol-3-one

Standard CAS: 86340-94-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
86340-94-5
Multi CAS
No
Molecular Formula
C7H4InO3S
Molecular Weight
309.080000
Exact Mass
308.895660
InChI
InChI=1S/C7H4INO3S/c8-9-7(10)5-3-1-2-4-6(5)13(9,11)12/h1-4H
InChIKey
XQKQROJYWLWDMP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
H-bond acceptors
3
Molar refractivity
53.82
TPSA
54.45

LogP / Solubility

WLOGP
1.18
MLOGP
1.05
XLogP3
1.3
Consensus LogP
1.18
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.77

Drug-likeness / Medicinal Chemistry

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

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