CAS RN: 958027-82-2
2,3-Dichlorophenethyl broMide
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.20260501 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS958027-82-2
- Purity/Analytical Methods: >99.0%
958027-82-2 / 1-(2-bromoethyl)-2,3-dichlorobenzene
Basic Information
CAS
958027-82-2
Multi CAS
No
Molecular Formula
C8H7BRCL2
Molecular Weight
253.950000
Exact Mass
251.910820
InChI
InChI=1S/C8H7BrCl2/c9-5-4-6-2-1-3-7(10)8(6)11/h1-3H,4-5H2
InChIKey
FDYYGZOWHGEICH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
Molar refractivity
53.96
TPSA
0.0000
LogP / Solubility
WLOGP
3.93
MLOGP
3.47
XLogP3
4.2
Consensus LogP
3.87
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.81
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)
-1.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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