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CAS 28418-89-5 5-Iodoisobenzofuran-1,3-dione molecular structure lightbox
CAS RN: 28418-89-5

5-Iodoisobenzofuran-1,3-dione

  • Product code: SSC-129660
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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 28418-89-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

28418-89-5 / 5-iodo-2-benzofuran-1,3-dione

Standard CAS: 28418-89-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28418-89-5
Multi CAS
No
Molecular Formula
C8H3IO3
Molecular Weight
274.010000
Exact Mass
273.912690
InChI
InChI=1S/C8H3IO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3H
InChIKey
HAXOVWANMPEGGM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
H-bond acceptors
3
Molar refractivity
48.91
TPSA
43.37

LogP / Solubility

WLOGP
1.6
MLOGP
1.42
XLogP3
1.9
Consensus LogP
1.64
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.25

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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