CAS RN: 1174046-84-4
Ethyl 4-Ethoxy-2-oxo-1,2-dihydropyridine-3-carboxylate
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-017275
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | -- | 1 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 1 In Stock | Shanghai | Inquiry |
| 1g | -- | 0 Out of Stock | Beijing | Inquiry |
| 1g | >95% | 0 Out of Stock | Shanghai | Inquiry |
| 5g | -- | 0 Out of Stock | Beijing | Inquiry |
| 5g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
1174046-84-4 / ethyl 4-ethoxy-2-oxo-1H-pyridine-3-carboxylate
Ethyl 4-Ethoxy-2-oxo-1,2-dihydropyridine-3-carboxylate | ethyl 4-ethoxy-2-oxo-1H-pyridine-3-carboxylate | MFCD18911742
Basic Information
CAS
1174046-84-4
Multi CAS
Yes
Molecular Formula
C10H13NO4
Molecular Weight
211.210000
Exact Mass
211.084458
SMILES
CCOC1=C(C(=O)NC=C1)C(=O)OCC
InChI
InChI=1S/C10H13NO4/c1-3-14-7-5-6-11-9(12)8(7)10(13)15-4-2/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKey
CKTIVXCUXUFKSO-UHFFFAOYSA-N
Synonyms
Ethyl 4-Ethoxy-2-oxo-1,2-dihydropyridine-3-carboxylate
ethyl 4-ethoxy-2-oxo-1H-pyridine-3-carboxylate
MFCD18911742
Ethyl 4-ethoxy-2-hydroxynicotinate
3-Pyridinecarboxylic acid, 4-ethoxy-1,2-dihydro-2-oxo-, ethyl ester
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
54.19
TPSA
68.39
LogP / Solubility
WLOGP
0.95
MLOGP
0.84
XLogP3
0.7
Consensus LogP
0.83
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.3
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)
-3.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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