CAS RN: 933585-12-7
1-Bromo-2-chloro-3,5-dimethylbenzene
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.20260505 | 250mg / 1g / 5g / 10g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB895232
933585-12-7 / 1-bromo-2-chloro-3,5-dimethylbenzene
Basic Information
CAS
933585-12-7
Multi CAS
No
Molecular Formula
C8H8BRCL
Molecular Weight
219.500000
Exact Mass
217.949790
InChI
InChI=1S/C8H8BrCl/c1-5-3-6(2)8(10)7(9)4-5/h3-4H,1-2H3
InChIKey
XWIPLQBBRKEAKB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Molar refractivity
48.63
TPSA
0.0000
LogP / Solubility
WLOGP
3.72
MLOGP
3.28
XLogP3
4
Consensus LogP
3.67
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.17
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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