CAS RN: 608-90-2
1,2,3,4,5-Pentabromobenzene
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250524 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS608-90-2
- Purity/Analytical Methods: >99.0%
608-90-2 / 1,2,3,4,5-pentabromobenzene
Basic Information
CAS
608-90-2
Multi CAS
No
Molecular Formula
C6HBR5
Molecular Weight
472.590000
Exact Mass
471.595410
InChI
InChI=1S/C6HBr5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChIKey
LLVVSBBXENOOQY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Molar refractivity
64.94
TPSA
0.0000
LogP / Solubility
WLOGP
5.5
MLOGP
4.87
XLogP3
5.4
Consensus LogP
5.26
Log S (ESOL)
-6.64
Class (ESOL)
Insoluble
Log S (Ali)
-7.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.3
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-1.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
