CAS RN: 1884155-74-1
1-(3-chloroquinolin-7-yl)ethanone
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.20250609 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1884155-74-1
- Purity/Analytical Methods: >99.0%
1884155-74-1 / 1-(3-chloroquinolin-7-yl)ethanone
Basic Information
CAS
1884155-74-1
Multi CAS
No
Molecular Formula
C11H8ClNO
Molecular Weight
205.640000
Exact Mass
205.029442
SMILES
CC(=O)C1=CC2=NC=C(C=C2C=C1)Cl
InChI
InChI=1S/C11H8ClNO/c1-7(14)8-2-3-9-4-10(12)6-13-11(9)5-8/h2-6H,1H3
InChIKey
KMACMVIDKCSUOD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
56.76
TPSA
29.96
LogP / Solubility
WLOGP
3.09
MLOGP
2.72
XLogP3
2.5
Consensus LogP
2.77
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
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
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.78
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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