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CAS 1701-20-8 4-HYDROXY-6-METHYL-2-(TRIFLUOROMETHYL)QUINOLINE molecular structure lightbox
CAS RN: 1701-20-8

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

  • Product code: SSC-074720
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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, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 1701-20-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 4 In Stock Shanghai Inquiry
5g >97% 4 In Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Shenzhen Inquiry
25g >97% 0 Out of Stock Beijing Inquiry

1701-20-8 / 6-methyl-2-(trifluoromethyl)-1H-quinolin-4-one

Standard CAS: 1701-20-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1701-20-8
Multi CAS
No
Molecular Formula
C11H8F3NO
Molecular Weight
227.180000
Exact Mass
227.055798
SMILES
CC1=CC2=C(C=C1)NC(=CC2=O)C(F)(F)F
InChI
InChI=1S/C11H8F3NO/c1-6-2-3-8-7(4-6)9(16)5-10(15-8)11(12,13)14/h2-5H,1H3,(H,15,16)
InChIKey
UNVMZLUVACVTDT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.18
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.31
TPSA
32.86

LogP / Solubility

WLOGP
2.86
MLOGP
2.52
XLogP3
2.8
Consensus LogP
2.73
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
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)
-2.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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