CAS RN: 178984-50-4
4-chloro-7-ethoxyquinoline
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.20250123 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS178984-50-4
- Purity/Analytical Methods: >99.0%
178984-50-4 / 4-chloro-7-ethoxyquinoline
Basic Information
CAS
178984-50-4
Multi CAS
No
Molecular Formula
C11H10ClNO
Molecular Weight
207.650000
Exact Mass
207.045092
SMILES
CCOC1=CC2=NC=CC(=C2C=C1)Cl
InChI
InChI=1S/C11H10ClNO/c1-2-14-8-3-4-9-10(12)5-6-13-11(9)7-8/h3-7H,2H2,1H3
InChIKey
KXQRJBISXXFVNK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
57.92
TPSA
22.12
LogP / Solubility
WLOGP
3.29
MLOGP
2.89
XLogP3
3.3
Consensus LogP
3.16
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
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)
-1.65
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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