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CAS 536-80-1 Iodosobenzene molecular structure lightbox
CAS RN: 536-80-1

Iodosobenzene

  • Product code: SSC-160979
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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: 25g
  • 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 536-80-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >95% 0 Out of Stock Beijing Inquiry

536-80-1 / iodosylbenzene

Standard CAS: 536-80-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
536-80-1
Multi CAS
No
Molecular Formula
C6H5IO
Molecular Weight
220.010000
Exact Mass
219.938510
InChI
InChI=1S/C6H5IO/c8-7-6-4-2-1-3-5-6/h1-5H
InChIKey
JYJVVHFRSFVEJM-UHFFFAOYSA-N

Physical Properties

Physical Description
Yellowish solid; [Merck Index] Light yellow powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
39.85
TPSA
17.07

LogP / Solubility

WLOGP
2.17
MLOGP
1.91
XLogP3
2
Consensus LogP
2.03
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly 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)
-2.52

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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