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CAS 588702-65-2 3-(TRIFLUOROMETHYL)QUINOLINE-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 588702-65-2

3-(TRIFLUOROMETHYL)QUINOLINE-4-CARBOXYLIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250224 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-167196
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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: >95%
  • 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 588702-65-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

588702-65-2 / 3-(trifluoromethyl)quinoline-4-carboxylic acid

Standard CAS: 588702-65-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
588702-65-2
Multi CAS
No
Molecular Formula
C11F3H6NO2
Molecular Weight
241.170000
Exact Mass
241.035063
InChI
InChI=1S/C11H6F3NO2/c12-11(13,14)7-5-15-8-4-2-1-3-6(8)9(7)10(16)17/h1-5H,(H,16,17)
InChIKey
WBOBVHAOJMZKLF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.7
TPSA
50.19

LogP / Solubility

WLOGP
2.95
MLOGP
2.6
XLogP3
2.6
Consensus LogP
2.72
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
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)
-2.1

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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