CAS RN: 281208-98-8
2-CHLORO-6-(ETHYLOXY)QUINOLINE-3-CARBALDEHYDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260405 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS281208-98-8
- Purity/Analytical Methods: >99.0%
281208-98-8 / 2-chloro-6-ethoxyquinoline-3-carbaldehyde
Basic Information
CAS
281208-98-8
Multi CAS
No
Molecular Formula
C12H10ClNO2
Molecular Weight
235.660000
Exact Mass
235.040006
InChI
InChI=1S/C12H10ClNO2/c1-2-16-10-3-4-11-8(6-10)5-9(7-15)12(13)14-11/h3-7H,2H2,1H3
InChIKey
BNLBYGHJJYCBEJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
63.31
TPSA
39.19
LogP / Solubility
WLOGP
3.1
MLOGP
2.73
XLogP3
3
Consensus LogP
2.94
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly 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)
-1.96
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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![CAS 281224-40-6 1H-Benz[de]isoquinoline-1,3(2H)-dione, 2,2′-(iminodi-2,1-ethanediyl)bis- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/281224-40-6.png)
