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CAS 1154743-11-9 Methyl 2-(trifluoromethyl)quinoline-6-carboxylate molecular structure lightbox
CAS RN: 1154743-11-9

Methyl 2-(trifluoromethyl)quinoline-6-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250801 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-015238
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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 1154743-11-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

1154743-11-9 / methyl 2-(trifluoromethyl)quinoline-6-carboxylate

Methyl 2-(trifluoromethyl)quinoline-6-carboxylate | MFCD22200341 | C12H8F3NO2

Standard CAS: 1154743-11-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1154743-11-9
Multi CAS
No
Molecular Formula
C12H8F3NO2
Molecular Weight
255.190000
Exact Mass
255.050713
SMILES
COC(=O)C1=CC2=C(C=C1)N=C(C=C2)C(F)(F)F
InChI
InChI=1S/C12H8F3NO2/c1-18-11(17)8-2-4-9-7(6-8)3-5-10(16-9)12(13,14)15/h2-6H,1H3
InChIKey
RMVKZDIEWMLCJE-UHFFFAOYSA-N
Synonyms
Methyl 2-(trifluoromethyl)quinoline-6-carboxylate MFCD22200341 C12H8F3NO2 6-Quinolinecarboxylic acid, 2-(trifluoromethyl)-, methyl ester SCHEMBL537429

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
58.08
TPSA
39.19

LogP / Solubility

WLOGP
3.04
MLOGP
2.68
XLogP3
3
Consensus LogP
2.91
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
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)
-2.12

Drug-likeness / Medicinal Chemistry

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

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