CAS RN: 39655-12-4
2-bromo-2′-Iodo-1,1′-Biphenyl
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250516 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS39655-12-4
- Purity/Analytical Methods: >99.0%
39655-12-4 / 1-bromo-2-(2-iodophenyl)benzene
Basic Information
CAS
39655-12-4
Multi CAS
Yes
Molecular Formula
C12H8BRI
Molecular Weight
359.000000
Exact Mass
357.885410
InChI
InChI=1S/C12H8BrI/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H
InChIKey
OUIGKVGELUUMGW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
1
Molar refractivity
72.3
TPSA
0.0000
LogP / Solubility
WLOGP
4.72
MLOGP
4.17
XLogP3
5.2
Consensus LogP
4.7
Log S (ESOL)
-5.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.03
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)
-1.56
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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- Product Code: starshine_CAS39672-76-9
- Purity/Analytical method: >99.0%
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