CAS RN: 4235-46-5
α,α,α’,α’,4-Pentabromo-o-xylene
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251206 | 1g | In stock | Shanghai, Guangdong | Inquiry |
- Product code: ICTP1622
- Purity/Analytical Methods: >97.0%(GC)
4235-46-5 / 4-bromo-1,2-bis(dibromomethyl)benzene
Basic Information
CAS
4235-46-5
Multi CAS
No
Molecular Formula
C8H5BR5
Molecular Weight
500.640000
Exact Mass
499.626710
InChI
InChI=1S/C8H5Br5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,7-8H
InChIKey
MSKRZYXIEGFYFD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
Molar refractivity
75.33
TPSA
0.0000
LogP / Solubility
WLOGP
6.03
MLOGP
5.34
XLogP3
5.5
Consensus LogP
5.62
Log S (ESOL)
-6.95
Class (ESOL)
Insoluble
Log S (Ali)
-8.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.16
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)
-1.5
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
4-(Chloromethyl)styrene (stabilized with TBC + ONP + 2-Nitro-p-cresol)
- CAS RN: 1592-20-7
- Product Code: SSC-067220
-
-
-
-
