CAS RN: 1420793-19-6
5-Fluoro-quinoline-2-carboxylic acid methyl ester
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.20250921 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1420793-19-6
- Purity/Analytical Methods: >99.0%
1420793-19-6 / methyl 5-fluoroquinoline-2-carboxylate
Basic Information
CAS
1420793-19-6
Multi CAS
No
Molecular Formula
C11H8FNO2
Molecular Weight
205.180000
Exact Mass
205.053907
SMILES
COC(=O)C1=NC2=C(C=C1)C(=CC=C2)F
InChI
InChI=1S/C11H8FNO2/c1-15-11(14)10-6-5-7-8(12)3-2-4-9(7)13-10/h2-6H,1H3
InChIKey
DONNBJJOWSFNRV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
53.04
TPSA
39.19
LogP / Solubility
WLOGP
2.16
MLOGP
1.9
XLogP3
2.5
Consensus LogP
2.19
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
Class (SILICOS-IT)
Moderately 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)
-2.44
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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