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CAS 62482-28-4 6-CHLOROQUINOLINE-2,4-DICARBOXYLIC ACID molecular structure lightbox
CAS RN: 62482-28-4

6-CHLOROQUINOLINE-2,4-DICARBOXYLIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250323 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS62482-28-4
  • Purity/Analytical Methods: >99.0%
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62482-28-4 / 6-chloroquinoline-2,4-dicarboxylic acid

Standard CAS: 62482-28-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
62482-28-4
Multi CAS
No
Molecular Formula
C11H6CLNO4
Molecular Weight
251.620000
Exact Mass
250.998535
InChI
InChI=1S/C11H6ClNO4/c12-5-1-2-8-6(3-5)7(10(14)15)4-9(13-8)11(16)17/h1-4H,(H,14,15)(H,16,17)
InChIKey
ILQAFAWQKBSEDK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
60.67
TPSA
87.49

LogP / Solubility

WLOGP
2.28
MLOGP
2.02
XLogP3
2.2
Consensus LogP
2.17
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly 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)
-2.63

Drug-likeness / Medicinal Chemistry

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

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