CAS RN: 941266-27-9
2,2,4-Trimethyl-1,2-dihydroquinoline-8-carboxylic acid
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.20250827 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS941266-27-9
- Purity/Analytical Methods: >99.0%
941266-27-9 / 2,2,4-trimethyl-1H-quinoline-8-carboxylic acid
Basic Information
CAS
941266-27-9
Multi CAS
No
Molecular Formula
C13H15NO2
Molecular Weight
217.260000
Exact Mass
217.110279
InChI
InChI=1S/C13H15NO2/c1-8-7-13(2,3)14-11-9(8)5-4-6-10(11)12(15)16/h4-7,14H,1-3H3,(H,15,16)
InChIKey
XEJWPMCWXLNOMT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
64.75
TPSA
49.33
LogP / Solubility
WLOGP
2.99
MLOGP
2.64
XLogP3
2.3
Consensus LogP
2.64
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92
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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