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CAS 31009-34-4 6-FLUORO-4-HYDROXY-2-(TRIFLUOROMETHYL)QUINOLINE molecular structure lightbox
CAS RN: 31009-34-4

6-FLUORO-4-HYDROXY-2-(TRIFLUOROMETHYL)QUINOLINE

  • Product code: SSC-136220
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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: 1g, 0.1g, 5g, 0.25g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 6
  • 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 31009-34-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 4 In Stock Beijing Inquiry
1g ≥95% 4 In Stock Shanghai Inquiry
0.1g -- 1 In Stock Shenzhen Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
5g -- 1 In Stock Beijing Inquiry
5g ≥95% 1 In Stock Beijing Inquiry
0.25g -- 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
10g -- 0 Out of Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry
25g -- 0 Out of Stock Hong Kong Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

31009-34-4 / 6-fluoro-2-(trifluoromethyl)-1H-quinolin-4-one

Standard CAS: 31009-34-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31009-34-4
Multi CAS
Yes
Molecular Formula
C10F4H5NO
Molecular Weight
231.150000
Exact Mass
231.030726
InChI
InChI=1S/C10H5F4NO/c11-5-1-2-7-6(3-5)8(16)4-9(15-7)10(12,13)14/h1-4H,(H,15,16)
InChIKey
FNDABQIPEQHTNR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.53
TPSA
32.86

LogP / Solubility

WLOGP
2.69
MLOGP
2.37
XLogP3
2.6
Consensus LogP
2.55
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
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)
-2.22

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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