CAS RN: 83909-22-2
4,4”-Dibromo-1,1′:3′,1”-terphenyl
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.20250323 | 200mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: ICTD5023
- Purity/Analytical Methods: >98.0%(GC)
83909-22-2 / 1,3-bis(4-bromophenyl)benzene
Basic Information
CAS
83909-22-2
Multi CAS
No
Molecular Formula
C18H12BR2
Molecular Weight
388.100000
Exact Mass
387.928530
InChI
InChI=1S/C18H12Br2/c19-17-8-4-13(5-9-17)15-2-1-3-16(12-15)14-6-10-18(20)11-7-14/h1-12H
InChIKey
XYRNOZKOAZFOOG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
18
Rotatable bonds
2
Molar refractivity
92.71
TPSA
0.0000
LogP / Solubility
WLOGP
6.55
MLOGP
5.78
XLogP3
7.3
Consensus LogP
6.54
Log S (ESOL)
-6.9
Class (ESOL)
Insoluble
Log S (Ali)
-7.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.86
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 1257321-41-7
- Product Code: ICTD5802
- Purity/Analytical method: >97.0%(GC)
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