CAS RN: 21872-92-4
ethyl 6-aminoquinoline-3-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.20251019 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS21872-92-4
- Purity/Analytical Methods: >99.0%
21872-92-4 / ethyl 6-aminoquinoline-3-carboxylate
Basic Information
CAS
21872-92-4
Multi CAS
No
Molecular Formula
C12H12N2O2
Molecular Weight
216.240000
Exact Mass
216.089878
SMILES
CCOC(=O)C1=CN=C2C=CC(=CC2=C1)N
InChI
InChI=1S/C12H12N2O2/c1-2-16-12(15)9-5-8-6-10(13)3-4-11(8)14-7-9/h3-7H,2,13H2,1H3
InChIKey
CKSCDHZNOKMFPX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.11
TPSA
65.21
LogP / Solubility
WLOGP
1.99
MLOGP
1.76
XLogP3
1.9
Consensus LogP
1.88
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62
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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