[email protected]
CAS 175203-86-8 4-HYDROXY-6-(TRIFLUOROMETHOXY)QUINOLINE-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 175203-86-8

4-HYDROXY-6-(TRIFLUOROMETHOXY)QUINOLINE-3-CARBOXYLIC ACID

  • Product code: SSC-076842
GET A QUOTE
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, 10g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 175203-86-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 5 In Stock Beijing Inquiry
0.25g ≥97% 5 In Stock Hong Kong Inquiry
1g ≥97% 5 In Stock Hong Kong Inquiry
10g ≥97% 4 In Stock Hong Kong Inquiry
5g ≥97% 3 In Stock Shenzhen Inquiry

175203-86-8 / 4-oxo-6-(trifluoromethoxy)-1H-quinoline-3-carboxylic acid

Standard CAS: 175203-86-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
175203-86-8
Multi CAS
No
Molecular Formula
C11H6F3NO4
Molecular Weight
273.160000
Exact Mass
273.024892
SMILES
C1=CC2=C(C=C1OC(F)(F)F)C(=O)C(=CN2)C(=O)O
InChI
InChI=1S/C11H6F3NO4/c12-11(13,14)19-5-1-2-8-6(3-5)9(16)7(4-15-8)10(17)18/h1-4H,(H,15,16)(H,17,18)
InChIKey
GSUDZUNGTZIKPY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.21
TPSA
79.39

LogP / Solubility

WLOGP
2.12
MLOGP
1.88
XLogP3
3
Consensus LogP
2.33
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.88

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us