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CAS 318-35-4 ETHYL 6-FLUORO-4-HYDROXY-3-QUINOLINECARBOXYLATE molecular structure lightbox
CAS RN: 318-35-4

ETHYL 6-FLUORO-4-HYDROXY-3-QUINOLINECARBOXYLATE

  • Product code: SSC-137249
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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: 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 318-35-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
1g >97% 1 In Stock Hong Kong Inquiry
5g >97% 1 In Stock Beijing Inquiry
10g >97% 1 In Stock Shanghai Inquiry
25g >97% 1 In Stock Hong Kong Inquiry

318-35-4 / ethyl 6-fluoro-4-oxo-1H-quinoline-3-carboxylate

Standard CAS: 318-35-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
318-35-4
Multi CAS
Yes
Molecular Formula
C12FH10NO3
Molecular Weight
235.210000
Exact Mass
235.064471
InChI
InChI=1S/C12H10FNO3/c1-2-17-12(16)9-6-14-10-4-3-7(13)5-8(10)11(9)15/h3-6H,2H2,1H3,(H,14,15)
InChIKey
LNPRCADPRULVTR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.48
TPSA
59.16

LogP / Solubility

WLOGP
1.84
MLOGP
1.63
XLogP3
2.1
Consensus LogP
1.86
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.85

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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