CAS RN: 185961-44-8
8-Acetoxy-3-Methylquinoline
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.20250222 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS185961-44-8
- Purity/Analytical Methods: >99.0%
185961-44-8 / (3-methylquinolin-8-yl) acetate
Basic Information
CAS
185961-44-8
Multi CAS
No
Molecular Formula
C12H11NO2
Molecular Weight
201.220000
Exact Mass
201.078979
SMILES
CC1=CC2=C(C(=CC=C2)OC(=O)C)N=C1
InChI
InChI=1S/C12H11NO2/c1-8-6-10-4-3-5-11(15-9(2)14)12(10)13-7-8/h3-7H,1-2H3
InChIKey
UFEDBSXWGPWPLE-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
3
Molar refractivity
57.79
TPSA
39.19
LogP / Solubility
WLOGP
2.47
MLOGP
2.17
XLogP3
2.4
Consensus LogP
2.35
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.14
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)
-2.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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