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CAS 71083-18-6 7-(TrifluoroMethyl)quinoline-3-carboxylic acid ethyl ester molecular structure lightbox
CAS RN: 71083-18-6

7-(TrifluoroMethyl)quinoline-3-carboxylic acid ethyl ester

  • Product code: SSC-180755
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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 71083-18-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

71083-18-6 / ethyl 7-(trifluoromethyl)quinoline-3-carboxylate

Standard CAS: 71083-18-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
71083-18-6
Multi CAS
No
Molecular Formula
C13F3H10NO2
Molecular Weight
269.220000
Exact Mass
269.066363
InChI
InChI=1S/C13H10F3NO2/c1-2-19-12(18)9-5-8-3-4-10(13(14,15)16)6-11(8)17-7-9/h3-7H,2H2,1H3
InChIKey
FOMHCHKNNQESLJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.23
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
62.7
TPSA
39.19

LogP / Solubility

WLOGP
3.43
MLOGP
3.03
XLogP3
3.3
Consensus LogP
3.25
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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