CAS RN: 14773-50-3
3-ethoxypyridine
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.20250525 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS14773-50-3
- Purity/Analytical Methods: >99.0%
14773-50-3 / 3-ethoxypyridine
Basic Information
CAS
14773-50-3
Multi CAS
No
Molecular Formula
C7H9NO
Molecular Weight
123.150000
Exact Mass
123.068414
SMILES
CCOC1=CN=CC=C1
InChI
InChI=1S/C7H9NO/c1-2-9-7-4-3-5-8-6-7/h3-6H,2H2,1H3
InChIKey
URMFHFVYCDGDEC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
35.41
TPSA
22.12
LogP / Solubility
WLOGP
1.48
MLOGP
1.29
XLogP3
1.4
Consensus LogP
1.39
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
Class (SILICOS-IT)
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)
-2.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
