CAS RN: 763893-29-4
5,8-DIMETHYLQUINOLINE-3-CARBOXYLIC 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.20250614 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS763893-29-4
- Purity/Analytical Methods: >99.0%
763893-29-4 / 5,8-dimethylquinoline-3-carboxylic acid
Basic Information
CAS
763893-29-4
Multi CAS
No
Molecular Formula
C12H11NO2
Molecular Weight
201.220000
Exact Mass
201.078979
InChI
InChI=1S/C12H11NO2/c1-7-3-4-8(2)11-10(7)5-9(6-13-11)12(14)15/h3-6H,1-2H3,(H,14,15)
InChIKey
MXKOVYWLTMCDMM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.18
TPSA
50.19
LogP / Solubility
WLOGP
2.55
MLOGP
2.24
XLogP3
2.4
Consensus LogP
2.4
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.14
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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