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CAS 207231-25-2 4-CHLORO-6,7,8-TRIFLUOROQUINOLINE-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 207231-25-2

4-CHLORO-6,7,8-TRIFLUOROQUINOLINE-3-CARBOXYLIC ACID

  • Product code: SSC-097583
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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: 0.25g
  • 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 207231-25-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry

207231-25-2 / 4-chloro-6,7,8-trifluoroquinoline-3-carboxylic acid

Standard CAS: 207231-25-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
207231-25-2
Multi CAS
No
Molecular Formula
C10H3ClF3NO2
Molecular Weight
261.580000
Exact Mass
260.980441
SMILES
C1=C2C(=C(C(=C1F)F)F)N=CC(=C2Cl)C(=O)O
InChI
InChI=1S/C10H3ClF3NO2/c11-6-3-1-5(12)7(13)8(14)9(3)15-2-4(6)10(16)17/h1-2H,(H,16,17)
InChIKey
NJZRDDAKYGCCPV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.59
TPSA
50.19

LogP / Solubility

WLOGP
3
MLOGP
2.65
XLogP3
2.6
Consensus LogP
2.75
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
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)
-2.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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