CAS RN: 20389-09-7
2-(2-CHLOROPHENYL)-4-QUINOLINECARBOXYLIC ACID
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260301 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS20389-09-7
- Purity/Analytical Methods: >99.0%
20389-09-7 / 2-(2-chlorophenyl)quinoline-4-carboxylic acid
Basic Information
CAS
20389-09-7
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=C3Cl)C(=O)O
InChI
InChI=1S/C16H10ClNO2/c17-13-7-3-1-6-11(13)15-9-12(16(19)20)10-5-2-4-8-14(10)18-15/h1-9H,(H,19,20)
InChIKey
QBRGQUCIJZKQAY-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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