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CAS 23779-97-7 4-Chloro-8-(trifluoromethyl)quinoline molecular structure lightbox
CAS RN: 23779-97-7

4-Chloro-8-(trifluoromethyl)quinoline

Product Availability

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250422 1g In stock Inquiry
Batchno.20260125 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251205 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-115721
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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: 5g
  • Available purity: ＞97%
  • 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 23779-97-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

23779-97-7 / 4-chloro-8-(trifluoromethyl)quinoline

Standard CAS: 23779-97-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23779-97-7
Multi CAS
No
Molecular Formula
C10H5ClF3N
Molecular Weight
231.600000
Exact Mass
231.006261
SMILES
C1=CC2=C(C=CN=C2C(=C1)C(F)(F)F)Cl
InChI
InChI=1S/C10H5ClF3N/c11-8-4-5-15-9-6(8)2-1-3-7(9)10(12,13)14/h1-5H
InChIKey
LINGICLAECZKAW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
Molar refractivity
51.76
TPSA
12.89

LogP / Solubility

WLOGP
3.91
MLOGP
3.44
XLogP3
3.1
Consensus LogP
3.48
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
Class (SILICOS-IT)
Slightly 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)
-1.36

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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