CAS RN: 59891-97-3
1-(4-bromophenyl)ethyl methyl ether
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.20251110 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS59891-97-3
- Purity/Analytical Methods: >99.0%
59891-97-3 / 1-bromo-4-(1-methoxyethyl)benzene
Basic Information
CAS
59891-97-3
Multi CAS
No
Molecular Formula
C9H11BRO
Molecular Weight
215.090000
Exact Mass
213.999330
InChI
InChI=1S/C9H11BrO/c1-7(11-2)8-3-5-9(10)6-4-8/h3-7H,1-2H3
InChIKey
DUCFFBWPWJEFDI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
49.57
TPSA
9.23
LogP / Solubility
WLOGP
3.16
MLOGP
2.78
XLogP3
2.7
Consensus LogP
2.88
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
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)
-1.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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