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CAS 20389-10-0 2-(3-CHLOROPHENYL)-4-QUINOLINECARBOXYLIC ACID molecular structure lightbox
CAS RN: 20389-10-0

2-(3-CHLOROPHENYL)-4-QUINOLINECARBOXYLIC ACID

  • Product code: SSC-095958
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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 20389-10-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

20389-10-0 / 2-(3-chlorophenyl)quinoline-4-carboxylic acid

Standard CAS: 20389-10-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20389-10-0
Multi CAS
No
Molecular Formula
C16H10ClNO2
Molecular Weight
283.710000
Exact Mass
283.040006
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Cl)C(=O)O
InChI
InChI=1S/C16H10ClNO2/c17-11-5-3-4-10(8-11)15-9-13(16(19)20)12-6-1-2-7-14(12)18-15/h1-9H,(H,19,20)
InChIKey
QPDXYIKQOBZSGQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
79.15
TPSA
50.19

LogP / Solubility

WLOGP
4.25
MLOGP
3.75
XLogP3
4
Consensus LogP
4
Log S (ESOL)
-4.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.27
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)
-1.43

Drug-likeness / Medicinal Chemistry

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

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