CAS RN: 1289131-55-0
4-broMo-2-(2-Methoxyethoxy)pyridine
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.20260205 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1289131-55-0
- Purity/Analytical Methods: >99.0%
1289131-55-0 / 4-bromo-2-(2-methoxyethoxy)pyridine
Basic Information
CAS
1289131-55-0
Multi CAS
No
Molecular Formula
C8H10BrNO2
Molecular Weight
232.070000
Exact Mass
230.989490
SMILES
COCCOC1=NC=CC(=C1)Br
InChI
InChI=1S/C8H10BrNO2/c1-11-4-5-12-8-6-7(9)2-3-10-8/h2-3,6H,4-5H2,1H3
InChIKey
VDYQLUMBDMESTQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
49.31
TPSA
31.35
LogP / Solubility
WLOGP
1.87
MLOGP
1.65
XLogP3
1.7
Consensus LogP
1.74
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
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)
-2.81
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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