CAS RN: 88563-83-1
1-(1-broMoethyl)-3-Methoxybenzene
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.20260228 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS88563-83-1
- Purity/Analytical Methods: >99.0%
88563-83-1 / 1-(1-bromoethyl)-3-methoxybenzene
Basic Information
CAS
88563-83-1
Multi CAS
No
Molecular Formula
C9H11BRO
Molecular Weight
215.090000
Exact Mass
213.999330
InChI
InChI=1S/C9H11BrO/c1-7(10)8-4-3-5-9(6-8)11-2/h3-7H,1-2H3
InChIKey
YGBWEVLCLQXBKI-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
50.34
TPSA
9.23
LogP / Solubility
WLOGP
3.15
MLOGP
2.77
XLogP3
3.3
Consensus LogP
3.07
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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