CAS RN: 19746-57-7
8-Ethoxy-5-nitroquinoline
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.20260421 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS19746-57-7
- Purity/Analytical Methods: >99.0%
19746-57-7 / 8-ethoxy-5-nitroquinoline
Basic Information
CAS
19746-57-7
Multi CAS
No
Molecular Formula
C11H10N2O3
Molecular Weight
218.210000
Exact Mass
218.069142
SMILES
CCOC1=C2C(=C(C=C1)[N+](=O)[O-])C=CC=N2
InChI
InChI=1S/C11H10N2O3/c1-2-16-10-6-5-9(13(14)15)8-4-3-7-12-11(8)10/h3-7H,2H2,1H3
InChIKey
JIKDSYNTJROGHD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
59.57
TPSA
65.26
LogP / Solubility
WLOGP
2.54
MLOGP
2.24
XLogP3
2.1
Consensus LogP
2.29
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
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)
-2.25
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
