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CAS 178964-53-9 Descarboxyl Levofloxacin molecular structure lightbox
CAS RN: 178964-53-9

Descarboxyl Levofloxacin

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250502 50mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS178964-53-9
  • Purity/Analytical Methods: >99.0%
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178964-53-9 / (2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraen-10-one

Standard CAS: 178964-53-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
178964-53-9
Multi CAS
No
Molecular Formula
C17H20FN3O2
Molecular Weight
317.360000
Exact Mass
317.153955
SMILES
C[C@H]1COC2=C3N1C=CC(=O)C3=CC(=C2N4CCN(CC4)C)F
InChI
InChI=1S/C17H20FN3O2/c1-11-10-23-17-15-12(14(22)3-4-21(11)15)9-13(18)16(17)20-7-5-19(2)6-8-20/h3-4,9,11H,5-8,10H2,1-2H3/t11-/m0/s1
InChIKey
XTLCAWXSWVQNHK-NSHDSACASA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.47
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
88.08
TPSA
37.71

LogP / Solubility

WLOGP
1.85
MLOGP
1.64
XLogP3
1.6
Consensus LogP
1.7
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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