CAS RN: 2236-52-4
2,2′-Diiodobiphenyl
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-109033
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
2236-52-4 / 1-iodo-2-(2-iodophenyl)benzene
Basic Information
CAS
2236-52-4
Multi CAS
No
Molecular Formula
C12H8I2
Molecular Weight
406.000000
Exact Mass
405.871550
SMILES
C1=CC=C(C(=C1)C2=CC=CC=C2I)I
InChI
InChI=1S/C12H8I2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H
InChIKey
OZVRXSGTNWILMN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
1
Molar refractivity
77.31
TPSA
0.0000
LogP / Solubility
WLOGP
4.56
MLOGP
4.04
XLogP3
4.8
Consensus LogP
4.47
Log S (ESOL)
-5.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.21
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)
-1.96
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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4,4′-Diiodobiphenyl
- CAS RN: 3001-15-8
- Product Code: ICTD2315
- Purity/Analytical method: >98.0%(GC)
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