CAS RN: 1635407-48-5
1-(3-chloroquinolin-6-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.20260214 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-071043
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1635407-48-5 / 1-(3-chloroquinolin-6-yl)ethanone
Basic Information
CAS
1635407-48-5
Multi CAS
No
Molecular Formula
C11H8ClNO
Molecular Weight
205.640000
Exact Mass
205.029442
SMILES
CC(=O)C1=CC2=CC(=CN=C2C=C1)Cl
InChI
InChI=1S/C11H8ClNO/c1-7(14)8-2-3-11-9(4-8)5-10(12)6-13-11/h2-6H,1H3
InChIKey
IWBYBZUSHRYGCA-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
2.2
Consensus LogP
2.67
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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