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CAS 130879-43-5 ethyl 3-methoxy-1-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate molecular structure lightbox
CAS RN: 130879-43-5

ethyl 3-methoxy-1-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate

  • Product code: SSC-037424
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 130879-43-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥98% 0 Out of Stock Shenzhen Inquiry
0.25g ≥98% 0 Out of Stock Shenzhen Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry

130879-43-5 / ethyl 3-methoxy-1-methyl-2-oxopyridine-4-carboxylate

Standard CAS: 130879-43-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
130879-43-5
Multi CAS
No
Molecular Formula
C10H13NO4
Molecular Weight
211.210000
Exact Mass
211.084458
SMILES
CCOC(=O)C1=C(C(=O)N(C=C1)C)OC
InChI
InChI=1S/C10H13NO4/c1-4-15-10(13)7-5-6-11(2)9(12)8(7)14-3/h5-6H,4H2,1-3H3
InChIKey
FJYYQHYGJKWMFI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
54.19
TPSA
57.53

LogP / Solubility

WLOGP
0.57
MLOGP
0.5
XLogP3
0.5
Consensus LogP
0.52
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
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)
-3.6

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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