CAS RN: 75338-42-0
1-Ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-2-quinolinecarboxylic 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.20251028 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS75338-42-0
- Purity/Analytical Methods: >99.0%
75338-42-0 / 1-ethyl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylic acid
Basic Information
CAS
75338-42-0
Multi CAS
Yes
Molecular Formula
C12F3H8NO3
Molecular Weight
271.190000
Exact Mass
271.045628
InChI
InChI=1S/C12H8F3NO3/c1-2-16-4-6(12(18)19)11(17)5-3-7(13)8(14)9(15)10(5)16/h3-4H,2H2,1H3,(H,18,19)
InChIKey
FKKUVCHFRDLBHN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.72
TPSA
59.3
LogP / Solubility
WLOGP
2.14
MLOGP
1.89
XLogP3
1.8
Consensus LogP
1.94
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
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)
-2.86
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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