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CAS 851726-49-3 Ethyl 4-Methoxy-1-Methyl-2-oxo-1,2,5,6-tetrahydropyridine-3-carboxylate molecular structure lightbox
CAS RN: 851726-49-3

Ethyl 4-Methoxy-1-Methyl-2-oxo-1,2,5,6-tetrahydropyridine-3-carboxylate

  • Product code: SSC-193376
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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: 1g, 0.25g, 0.1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 851726-49-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
0.1g >95% 0 Out of Stock Shanghai Inquiry
5g >95% 0 Out of Stock Beijing Inquiry

851726-49-3 / ethyl 4-methoxy-1-methyl-6-oxo-2,3-dihydropyridine-5-carboxylate

Standard CAS: 851726-49-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
851726-49-3
Multi CAS
No
Molecular Formula
C10H15NO4
Molecular Weight
213.230000
Exact Mass
213.100108
InChI
InChI=1S/C10H15NO4/c1-4-15-10(13)8-7(14-3)5-6-11(2)9(8)12/h4-6H2,1-3H3
InChIKey
SUXRQZKWFUREDJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
52.92
TPSA
55.84

LogP / Solubility

WLOGP
0.31
MLOGP
0.28
XLogP3
0.4
Consensus LogP
0.33
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
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)
-3.8

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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