CAS RN: 221221-15-4
1-CYCLOPROPYL-7-FLUORO-1,4-DIHYDRO-8-METHOXY-4-OXO-3-QUINOLINECARBOXYLIC ACID, ETHYL 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.20260623 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS221221-15-4
- Purity/Analytical Methods: >99.0%
221221-15-4 / ethyl 1-cyclopropyl-7-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate
Basic Information
CAS
221221-15-4
Multi CAS
No
Molecular Formula
C16H16FNO4
Molecular Weight
305.300000
Exact Mass
305.106336
SMILES
CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2OC)F)C3CC3
InChI
InChI=1S/C16H16FNO4/c1-3-22-16(20)11-8-18(9-4-5-9)13-10(14(11)19)6-7-12(17)15(13)21-2/h6-9H,3-5H2,1-2H3
InChIKey
LVVVIHXCRATXAF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
78.95
TPSA
57.53
LogP / Solubility
WLOGP
2.66
MLOGP
2.35
XLogP3
2.8
Consensus LogP
2.6
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.33
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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