CAS RN: 337535-43-0
4-BROMO-1-FLUORO-2-(METHOXYMETHYL) BENZENE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250608 | 25mg / 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shandong | Inquiry |
- Product code: starshine_CAS337535-43-0
- Purity/Analytical Methods: >99.0%
337535-43-0 / 4-bromo-1-fluoro-2-(methoxymethyl)benzene
Basic Information
CAS
337535-43-0
Multi CAS
No
Molecular Formula
BC8H8ORf
Molecular Weight
219.050000
Exact Mass
217.974260
InChI
InChI=1S/C8H8BrFO/c1-11-5-6-4-7(9)2-3-8(6)10/h2-4H,5H2,1H3
InChIKey
VYZYGWURKGSBFI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
44.81
TPSA
9.23
LogP / Solubility
WLOGP
2.73
MLOGP
2.41
XLogP3
2.4
Consensus LogP
2.51
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
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)
-2.11
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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