CAS RN: 1691936-08-9
2-bromo-5-(2-ethoxyethoxy)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.20260327 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1691936-08-9
- Purity/Analytical Methods: >99.0%
1691936-08-9 / 2-bromo-5-(2-ethoxyethoxy)pyridine
Basic Information
CAS
1691936-08-9
Multi CAS
No
Molecular Formula
C9H12BrNO2
Molecular Weight
246.100000
Exact Mass
245.005140
SMILES
CCOCCOC1=CN=C(C=C1)Br
InChI
InChI=1S/C9H12BrNO2/c1-2-12-5-6-13-8-3-4-9(10)11-7-8/h3-4,7H,2,5-6H2,1H3
InChIKey
NHBJCTSAFFEMDY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
53.93
TPSA
31.35
LogP / Solubility
WLOGP
2.26
MLOGP
1.99
XLogP3
2.1
Consensus LogP
2.12
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-2.62
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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