CAS RN: 1438559-55-7
8-Acetyl-5-chloroquinoline
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250612 | 100mg | In stock | Shenzhen, Tianjin, Wuhan | Inquiry | |
| Batchno.20250327 | 100mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20251225 | 1g | In stock | Shenzhen, Chengdu | Inquiry | |
| Batchno.20260513 | 250mg | In stock | Shenzhen, Tianjin, Wuhan | Inquiry |
- Product code: SSC-055148
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: ≥97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1438559-55-7 / 1-(5-chloroquinolin-8-yl)ethanone
Basic Information
CAS
1438559-55-7
Multi CAS
No
Molecular Formula
C11H8ClNO
Molecular Weight
205.640000
Exact Mass
205.029442
SMILES
CC(=O)C1=C2C(=C(C=C1)Cl)C=CC=N2
InChI
InChI=1S/C11H8ClNO/c1-7(14)8-4-5-10(12)9-3-2-6-13-11(8)9/h2-6H,1H3
InChIKey
JMKBPBNGEGDMLD-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
2.9
Consensus LogP
2.9
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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