CAS RN: 1447608-14-1
ethyl 4-chloro-7-nitroquinoline-2-carboxylate
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.20260207 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1447608-14-1
- Purity/Analytical Methods: >99.0%
1447608-14-1 / ethyl 4-chloro-7-nitroquinoline-2-carboxylate
Basic Information
CAS
1447608-14-1
Multi CAS
No
Molecular Formula
C12H9ClN2O4
Molecular Weight
280.660000
Exact Mass
280.025085
SMILES
CCOC(=O)C1=NC2=C(C=CC(=C2)[N+](=O)[O-])C(=C1)Cl
InChI
InChI=1S/C12H9ClN2O4/c1-2-19-12(16)11-6-9(13)8-4-3-7(15(17)18)5-10(8)14-11/h3-6H,2H2,1H3
InChIKey
TUFCBXFDBFPSPB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
69.36
TPSA
82.33
LogP / Solubility
WLOGP
2.97
MLOGP
2.63
XLogP3
3.2
Consensus LogP
2.93
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.31
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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