CAS RN: 1429217-39-9
ethyl 1,2-dihydro-3-methoxy-2-oxopyridine-4-carboxylate
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.20250927 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1429217-39-9
- Purity/Analytical Methods: >99.0%
1429217-39-9 / ethyl 3-methoxy-2-oxo-1H-pyridine-4-carboxylate
Basic Information
CAS
1429217-39-9
Multi CAS
No
Molecular Formula
C9H11NO4
Molecular Weight
197.190000
Exact Mass
197.068808
SMILES
CCOC(=O)C1=C(C(=O)NC=C1)OC
InChI
InChI=1S/C9H11NO4/c1-3-14-9(12)6-4-5-10-8(11)7(6)13-2/h4-5H,3H2,1-2H3,(H,10,11)
InChIKey
UKTFTTFHGFWIBT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.57
TPSA
68.39
LogP / Solubility
WLOGP
0.56
MLOGP
0.49
XLogP3
0.3
Consensus LogP
0.45
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
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)
-3.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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