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CAS 647829-43-4 Bis(4-iodophenyl) sulfoxide molecular structure lightbox
CAS RN: 647829-43-4

Bis(4-iodophenyl) sulfoxide

  • Product code: SSC-174454
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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: 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 647829-43-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 2 In Stock Hong Kong Inquiry
5g ≥95% 2 In Stock Shenzhen Inquiry

647829-43-4 / 1-iodo-4-(4-iodophenyl)sulfinylbenzene

Standard CAS: 647829-43-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
647829-43-4
Multi CAS
No
Molecular Formula
C12H8I2OS
Molecular Weight
454.070000
Exact Mass
453.838530
InChI
InChI=1S/C12H8I2OS/c13-9-1-5-11(6-2-9)16(15)12-7-3-10(14)4-8-12/h1-8H
InChIKey
BVNAGZDWGFKCKW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
82.99
TPSA
17.07

LogP / Solubility

WLOGP
4.06
MLOGP
3.61
XLogP3
4
Consensus LogP
3.89
Log S (ESOL)
-5.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.22
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.61

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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