CAS RN: 588696-22-4
ART-CHEM-BB B013519
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.20250505 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS588696-22-4
- Purity/Analytical Methods: >99.0%
588696-22-4 / 7-chloro-2-(furan-2-yl)-8-methylquinoline-4-carboxylic acid
Basic Information
CAS
588696-22-4
Multi CAS
No
Molecular Formula
C15H10CLNO3
Molecular Weight
287.700000
Exact Mass
287.034921
InChI
InChI=1S/C15H10ClNO3/c1-8-11(16)5-4-9-10(15(18)19)7-12(17-14(8)9)13-3-2-6-20-13/h2-7H,1H3,(H,18,19)
InChIKey
LBDDNHWXGNSKHL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
76.15
TPSA
63.33
LogP / Solubility
WLOGP
4.15
MLOGP
3.67
XLogP3
3.5
Consensus LogP
3.77
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.22
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)
-1.53
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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