CAS RN: 2703756-63-0
ethyl 2-(6-chloropyridin-3-yloxy)acetate-N-oxide
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.20250410 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2703756-63-0
- Purity/Analytical Methods: >99.0%
2703756-63-0 / ethyl 2-(6-chloro-1-oxidopyridin-1-ium-3-yl)oxyacetate
Basic Information
CAS
2703756-63-0
Multi CAS
No
Molecular Formula
C9H10ClNO4
Molecular Weight
231.630000
Exact Mass
231.029836
SMILES
CCOC(=O)COC1=C[N+](=C(C=C1)Cl)[O-]
InChI
InChI=1S/C9H10ClNO4/c1-2-14-9(12)6-15-7-3-4-8(10)11(13)5-7/h3-5H,2,6H2,1H3
InChIKey
YPHPEYXQYHPCMQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
52.54
TPSA
62.47
LogP / Solubility
WLOGP
0.92
MLOGP
0.81
XLogP3
1.1
Consensus LogP
0.94
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
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)
-3.48
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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