CAS RN: 413573-97-4
8-methylquinoline-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.20250909 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS413573-97-4
- Purity/Analytical Methods: >99.0%
413573-97-4 / 8-methylquinoline-2,4-dicarboxylic acid
Basic Information
CAS
413573-97-4
Multi CAS
No
Molecular Formula
C12H9NO4
Molecular Weight
231.200000
Exact Mass
231.053158
InChI
InChI=1S/C12H9NO4/c1-6-3-2-4-7-8(11(14)15)5-9(12(16)17)13-10(6)7/h2-5H,1H3,(H,14,15)(H,16,17)
InChIKey
RUXYIPCFZUXPQH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
60.4
TPSA
87.49
LogP / Solubility
WLOGP
1.94
MLOGP
1.71
XLogP3
1.9
Consensus LogP
1.85
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.75
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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