CAS RN: 83015-28-5
1-BROMO-2-(1,1,2,2-TETRAFLUOROETHOXY)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.20250107 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS83015-28-5
- Purity/Analytical Methods: >99.0%
83015-28-5 / 1-bromo-2-(1,1,2,2-tetrafluoroethoxy)benzene
Basic Information
CAS
83015-28-5
Multi CAS
Yes
Molecular Formula
BC8H5ORf4
Molecular Weight
273.020000
Exact Mass
271.945990
InChI
InChI=1S/C8H5BrF4O/c9-5-3-1-2-4-6(5)14-8(12,13)7(10)11/h1-4,7H
InChIKey
QBGSEHUUSPUFTH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
45.72
TPSA
9.23
LogP / Solubility
WLOGP
3.69
MLOGP
3.25
XLogP3
4.2
Consensus LogP
3.71
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.85
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.77
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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