CAS RN: 52413-55-5
ART-CHEM-BB B013517
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250626 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS52413-55-5
- Purity/Analytical Methods: >99.0%
52413-55-5 / 8-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid
Basic Information
CAS
52413-55-5
Multi CAS
No
Molecular Formula
C14H8CLNO3
Molecular Weight
273.670000
Exact Mass
273.019271
InChI
InChI=1S/C14H8ClNO3/c15-10-4-1-3-8-9(14(17)18)7-11(16-13(8)10)12-5-2-6-19-12/h1-7H,(H,17,18)
InChIKey
CCGVQHQIJOPNNV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.41
TPSA
63.33
LogP / Solubility
WLOGP
3.85
MLOGP
3.39
XLogP3
3.1
Consensus LogP
3.45
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.87
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)
-1.66
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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