CAS RN: 1242260-53-2
4-Amino-6-ethylquinoline-3-carboxylic acid
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.20260419 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1242260-53-2
- Purity/Analytical Methods: >99.0%
1242260-53-2 / 4-amino-6-ethylquinoline-3-carboxylic acid
Basic Information
CAS
1242260-53-2
Multi CAS
No
Molecular Formula
C12H12N2O2
Molecular Weight
216.240000
Exact Mass
216.089878
SMILES
CCC1=CC2=C(C(=CN=C2C=C1)C(=O)O)N
InChI
InChI=1S/C12H12N2O2/c1-2-7-3-4-10-8(5-7)11(13)9(6-14-10)12(15)16/h3-6H,2H2,1H3,(H2,13,14)(H,15,16)
InChIKey
REBGQANCUHTUMH-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
3
H-bond donors
2
Molar refractivity
62.49
TPSA
76.21
LogP / Solubility
WLOGP
2.08
MLOGP
1.83
XLogP3
2.4
Consensus LogP
2.1
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
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)
-2.56
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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