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CAS 163704-47-0 2,6-Diisopropyliodobenzene molecular structure lightbox
CAS RN: 163704-47-0

2,6-Diisopropyliodobenzene

  • Product code: SSC-071100
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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: 5g, 1g, 0.25g, 0.1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 163704-47-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 5 In Stock Shanghai Inquiry
1g >95% 3 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
0.1g >95% 0 Out of Stock Beijing Inquiry

163704-47-0 / 2-iodo-1,3-di(propan-2-yl)benzene

Standard CAS: 163704-47-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
163704-47-0
Multi CAS
No
Molecular Formula
C12H17I
Molecular Weight
288.170000
Exact Mass
288.037500
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)I
InChI
InChI=1S/C12H17I/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9H,1-4H3
InChIKey
AZYZPYVCTLOROS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
Molar refractivity
67.34
TPSA
0.0000

LogP / Solubility

WLOGP
4.54
MLOGP
4
XLogP3
4.8
Consensus LogP
4.45
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.54
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.26

Drug-likeness / Medicinal Chemistry

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

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