CAS RN: 151721-78-7
1,3,5-Tribromo-2,4,6-triiodobenzene
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260211 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250416 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20260531 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260317 | 250mg | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20250829 | 5g | Out of stock | Inquiry |
- Product code: LINT914235
151721-78-7 / 1,3,5-tribromo-2,4,6-triiodobenzene
Basic Information
CAS
151721-78-7
Multi CAS
No
Molecular Formula
C6Br3I3
Molecular Weight
692.490000
Exact Mass
691.466400
SMILES
C1(=C(C(=C(C(=C1I)Br)I)Br)I)Br
InChI
InChI=1S/C6Br3I3/c7-1-4(10)2(8)6(12)3(9)5(1)11
InChIKey
PHXNXSOHPKDBSW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Molar refractivity
87.69
TPSA
0.0000
LogP / Solubility
WLOGP
5.79
MLOGP
5.15
XLogP3
5.9
Consensus LogP
5.61
Log S (ESOL)
-8.15
Class (ESOL)
Insoluble
Log S (Ali)
-9.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.97
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.83
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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