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CAS 394223-34-8 ethyl 2-(6-methoxyquinolin-4-yl)acetate molecular structure lightbox
CAS RN: 394223-34-8

ethyl 2-(6-methoxyquinolin-4-yl)acetate

  • Product code: SSC-147092
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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 394223-34-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

394223-34-8 / ethyl 2-(6-methoxyquinolin-4-yl)acetate

Standard CAS: 394223-34-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
394223-34-8
Multi CAS
No
Molecular Formula
C14H15NO3
Molecular Weight
245.270000
Exact Mass
245.105193
InChI
InChI=1S/C14H15NO3/c1-3-18-14(16)8-10-6-7-15-13-5-4-11(17-2)9-12(10)13/h4-7,9H,3,8H2,1-2H3
InChIKey
UOCXWBARXPRKNF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
68.63
TPSA
48.42

LogP / Solubility

WLOGP
2.35
MLOGP
2.07
XLogP3
2.3
Consensus LogP
2.24
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
Class (SILICOS-IT)
Poorly 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)
-2.55

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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