CAS RN: 28672-54-0
2-(2-ETHOXYETHYL)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.20250622 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS28672-54-0
- Purity/Analytical Methods: >99.0%
28672-54-0 / 2-(2-ethoxyethyl)pyridine
Basic Information
CAS
28672-54-0
Multi CAS
No
Molecular Formula
C9H13NO
Molecular Weight
151.210000
Exact Mass
151.099714
SMILES
CCOCCC1=CC=CC=N1
InChI
InChI=1S/C9H13NO/c1-2-11-8-6-9-5-3-4-7-10-9/h3-5,7H,2,6,8H2,1H3
InChIKey
BVFWKBCHXXZOJJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
44.43
TPSA
22.12
LogP / Solubility
WLOGP
1.66
MLOGP
1.46
XLogP3
1
Consensus LogP
1.37
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.5
Class (SILICOS-IT)
Moderately 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)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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