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CAS 194673-12-6 ethyl 6-oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carboxylate molecular structure lightbox
CAS RN: 194673-12-6

ethyl 6-oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carboxylate

  • Product code: SSC-091823
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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, 5g, 10g, 25g
  • Available purity: >96%
  • Inventory rows with stock: 3
  • 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 194673-12-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >96% 1 In Stock Beijing Inquiry
5g >96% 1 In Stock Hong Kong Inquiry
10g >96% 1 In Stock Shenzhen Inquiry
25g >96% 0 Out of Stock Beijing Inquiry

194673-12-6 / ethyl 2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carboxylate

Standard CAS: 194673-12-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
194673-12-6
Multi CAS
No
Molecular Formula
C9H10F3NO3
Molecular Weight
237.180000
Exact Mass
237.061278
SMILES
CCOC(=O)C1=C(NC(=O)CC1)C(F)(F)F
InChI
InChI=1S/C9H10F3NO3/c1-2-16-8(15)5-3-4-6(14)13-7(5)9(10,11)12/h2-4H2,1H3,(H,13,14)
InChIKey
QTHTZBDPNNJDRG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.09
TPSA
55.4

LogP / Solubility

WLOGP
1.28
MLOGP
1.13
XLogP3
0.8
Consensus LogP
1.07
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
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)
-3.26

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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