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CAS 40034-46-6 ethyl 1-ethyl-1,4-dihydro-4-oxo-7-(4-pyridyl)quinoline-3-carboxylate molecular structure lightbox
CAS RN: 40034-46-6

ethyl 1-ethyl-1,4-dihydro-4-oxo-7-(4-pyridyl)quinoline-3-carboxylate

  • Product code: SSC-147920
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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: 1g
  • Available purity: ≥95%
  • 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 40034-46-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

40034-46-6 / ethyl 1-ethyl-4-oxo-7-pyridin-4-ylquinoline-3-carboxylate

Standard CAS: 40034-46-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
40034-46-6
Multi CAS
Yes
Molecular Formula
C19H18N2O3
Molecular Weight
322.400000
Exact Mass
322.131742
InChI
InChI=1S/C19H18N2O3/c1-3-21-12-16(19(23)24-4-2)18(22)15-6-5-14(11-17(15)21)13-7-9-20-10-8-13/h5-12H,3-4H2,1-2H3
InChIKey
OHZAFYAURIOSNE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
93.07
TPSA
61.19

LogP / Solubility

WLOGP
3.26
MLOGP
2.88
XLogP3
0.7
Consensus LogP
2.28
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.94
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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