CAS RN: 50585-41-6
2,3,7,8-TETRABROMODIBENZO-P-DIOXIN
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.20260521 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS50585-41-6
- Purity/Analytical Methods: >99.0%
50585-41-6 / 2,3,7,8-tetrabromodibenzo-p-dioxin
Basic Information
CAS
50585-41-6
Multi CAS
Yes
Molecular Formula
C12H4BR4O2
Molecular Weight
499.770000
Exact Mass
499.690380
InChI
InChI=1S/C12H4Br4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H
InChIKey
JZLQUWSWOJPCAK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
H-bond acceptors
2
Molar refractivity
83.83
TPSA
18.46
LogP / Solubility
WLOGP
6.63
MLOGP
5.87
XLogP3
6.7
Consensus LogP
6.4
Log S (ESOL)
-7.61
Class (ESOL)
Insoluble
Log S (Ali)
-8.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.42
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)
-1.06
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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