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CAS 352521-49-4 ethyl 5-fluoroquinoline-3-carboxylate molecular structure lightbox
CAS RN: 352521-49-4

ethyl 5-fluoroquinoline-3-carboxylate

  • Product code: SSC-142171
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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 352521-49-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

352521-49-4 / ethyl 5-fluoroquinoline-3-carboxylate

Standard CAS: 352521-49-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
352521-49-4
Multi CAS
No
Molecular Formula
C12FH10NO2
Molecular Weight
219.210000
Exact Mass
219.069557
InChI
InChI=1S/C12H10FNO2/c1-2-16-12(15)8-6-9-10(13)4-3-5-11(9)14-7-8/h3-7H,2H2,1H3
InChIKey
IICZQOSGGGOLIB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
57.66
TPSA
39.19

LogP / Solubility

WLOGP
2.55
MLOGP
2.25
XLogP3
2.5
Consensus LogP
2.43
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
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)
-2.25

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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