CAS RN: 330646-88-3
8-chloroquinoline-2,4-dicarboxylic 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.20260408 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS330646-88-3
- Purity/Analytical Methods: >99.0%
330646-88-3 / 8-chloroquinoline-2,4-dicarboxylic acid
Basic Information
CAS
330646-88-3
Multi CAS
No
Molecular Formula
C11H6CLNO4
Molecular Weight
251.620000
Exact Mass
250.998535
InChI
InChI=1S/C11H6ClNO4/c12-7-3-1-2-5-6(10(14)15)4-8(11(16)17)13-9(5)7/h1-4H,(H,14,15)(H,16,17)
InChIKey
CYBPXAPZONTLOR-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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