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CAS 1011533-24-6 7-(Trifluoromethyl)quinolin-2-ol molecular structure lightbox
CAS RN: 1011533-24-6

7-(Trifluoromethyl)quinolin-2-ol

  • Product code: SSC-002012
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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: 0.1g, 0.25g, 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 3
  • 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 1011533-24-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 1 In Stock Hong Kong Inquiry
0.25g ≥97% 1 In Stock Shenzhen Inquiry
1g ≥97% 1 In Stock Shanghai Inquiry

1011533-24-6 / 7-(trifluoromethyl)-1H-quinolin-2-one

7-(TRIFLUOROMETHYL)QUINOLIN-2-OL | 2-Hydroxy-7-(trifluoromethyl)quinoline | 2(1H)-Quinolinone, 7-(trifluoromethyl)-

Standard CAS: 1011533-24-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1011533-24-6
Multi CAS
Yes
Molecular Formula
C10H6F3NO
Molecular Weight
213.160000
Exact Mass
213.040148
SMILES
C1=CC(=CC2=C1C=CC(=O)N2)C(F)(F)F
InChI
InChI=1S/C10H6F3NO/c11-10(12,13)7-3-1-6-2-4-9(15)14-8(6)5-7/h1-5H,(H,14,15)
InChIKey
STHFBPRDYLWJGX-UHFFFAOYSA-N
Synonyms
7-(TRIFLUOROMETHYL)QUINOLIN-2-OL 2-Hydroxy-7-(trifluoromethyl)quinoline 2(1H)-Quinolinone, 7-(trifluoromethyl)- 7-(trifluoromethyl)-1H-quinolin-2-one MFCD11052599

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.57
TPSA
32.86

LogP / Solubility

WLOGP
2.55
MLOGP
2.24
XLogP3
2.1
Consensus LogP
2.3
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
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)
-2.21

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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