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CAS 65673-93-0 3-CHLORO-7-TRIFLUOROMETHYLQUINOLIN-4-OL molecular structure lightbox
CAS RN: 65673-93-0

3-CHLORO-7-TRIFLUOROMETHYLQUINOLIN-4-OL

  • Product code: SSC-175301
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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 65673-93-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

65673-93-0 / 3-chloro-7-(trifluoromethyl)-1H-quinolin-4-one

Standard CAS: 65673-93-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
65673-93-0
Multi CAS
No
Molecular Formula
C10H5CLF3NO
Molecular Weight
247.600000
Exact Mass
247.001176
InChI
InChI=1S/C10H5ClF3NO/c11-7-4-15-8-3-5(10(12,13)14)1-2-6(8)9(7)16/h1-4H,(H,15,16)
InChIKey
KMRLVUZYOOBTFZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.58
TPSA
32.86

LogP / Solubility

WLOGP
3.2
MLOGP
2.82
XLogP3
3.3
Consensus LogP
3.11
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
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)
-1.96

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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