CAS RN: 332-47-8
1-Bromo-4-(2-fluoroethoxy)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.20260305 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS332-47-8
- Purity/Analytical Methods: >99.0%
332-47-8 / 1-bromo-4-(2-fluoroethoxy)benzene
Basic Information
CAS
332-47-8
Multi CAS
No
Molecular Formula
BC8H8ORf
Molecular Weight
219.050000
Exact Mass
217.974260
InChI
InChI=1S/C8H8BrFO/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,5-6H2
InChIKey
HCSATMHJZXLZDU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
45.61
TPSA
9.23
LogP / Solubility
WLOGP
2.8
MLOGP
2.46
XLogP3
2.9
Consensus LogP
2.72
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly 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)
-2.07
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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