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CAS 31588-79-1 8-(trifluoromethyl)quinoline-3-carboxylic acid molecular structure lightbox
CAS RN: 31588-79-1

8-(trifluoromethyl)quinoline-3-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260204 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-137002
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 31588-79-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

31588-79-1 / 8-(trifluoromethyl)quinoline-3-carboxylic acid

Standard CAS: 31588-79-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
31588-79-1
Multi CAS
No
Molecular Formula
C11F3H6NO2
Molecular Weight
241.170000
Exact Mass
241.035063
InChI
InChI=1S/C11H6F3NO2/c12-11(13,14)8-3-1-2-6-4-7(10(16)17)5-15-9(6)8/h1-5H,(H,16,17)
InChIKey
SFGJRDPCPWCNMJ-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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