CAS RN: 6425-67-8
1,2-dibromo-4,5-bis(bromomethyl)benzene
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.20250612 | 50mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS6425-67-8
- Purity/Analytical Methods: >99.0%
6425-67-8 / 1,2-dibromo-4,5-bis(bromomethyl)benzene
Basic Information
CAS
6425-67-8
Multi CAS
No
Molecular Formula
C8H6BR4
Molecular Weight
421.750000
Exact Mass
421.716200
InChI
InChI=1S/C8H6Br4/c9-3-5-1-7(11)8(12)2-6(5)4-10/h1-2H,3-4H2
InChIKey
QOSUUORMRZRRJA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
Molar refractivity
67.1
TPSA
0.0000
LogP / Solubility
WLOGP
5
MLOGP
4.43
XLogP3
4.4
Consensus LogP
4.61
Log S (ESOL)
-5.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.79
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)
-1.74
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
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