CAS RN: 214476-08-1
3-Cyano-7-ethoxy-4-hydroxy-6-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.20260130 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-102832
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 0.1g
- Available purity: ≥95%
- Inventory rows with stock: 1
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
214476-08-1 / 7-ethoxy-6-nitro-4-oxo-1H-quinoline-3-carbonitrile
Basic Information
CAS
214476-08-1
Multi CAS
No
Molecular Formula
C12H9N3O4
Molecular Weight
259.220000
Exact Mass
259.059306
SMILES
CCOC1=C(C=C2C(=C1)NC=C(C2=O)C#N)[N+](=O)[O-]
InChI
InChI=1S/C12H9N3O4/c1-2-19-11-4-9-8(3-10(11)15(17)18)12(16)7(5-13)6-14-9/h3-4,6H,2H2,1H3,(H,14,16)
InChIKey
YWXULSPHZDNVAN-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
H-bond donors
1
Molar refractivity
67.11
TPSA
109.02
LogP / Solubility
WLOGP
1.71
MLOGP
1.51
XLogP3
1.7
Consensus LogP
1.64
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.09
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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