CAS RN: 74011-58-8
Enoxacin
Product Availability
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8 package records4 with current stock4 grade groups
- Product code: LINE824180
74011-58-8 / 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
Basic Information
CAS
74011-58-8
Multi CAS
Yes
Molecular Formula
C15FH17N4O3
Molecular Weight
320.320000
Exact Mass
320.128469
InChI
InChI=1S/C15H17FN4O3/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20/h7-8,17H,2-6H2,1H3,(H,22,23)
InChIKey
IDYZIJYBMGIQMJ-UHFFFAOYSA-N
Physical Properties
Melting Point
220-224 °C
220 - 224 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
83.68
TPSA
87.46
LogP / Solubility
WLOGP
0.66
MLOGP
0.6
XLogP3
-0.2
Consensus LogP
0.35
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.2
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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