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CAS 151377-74-1 N,N’-Desethylene-N,N’-diforMyl Levofloxacin molecular structure lightbox
CAS RN: 151377-74-1

N,N’-Desethylene-N,N’-diforMyl Levofloxacin

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250226 100mg In stock Shanghai Inquiry
  • Product code: starshine_CAS151377-74-1
  • Purity/Analytical Methods: >99.0%
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151377-74-1 / (2S)-7-fluoro-6-[formyl-[2-[formyl(methyl)amino]ethyl]amino]-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

Standard CAS: 151377-74-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
151377-74-1
Multi CAS
No
Molecular Formula
C18H18FN3O6
Molecular Weight
391.300000
Exact Mass
391.117963
SMILES
C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N(CCN(C)C=O)C=O)F)C(=O)O
InChI
InChI=1S/C18H18FN3O6/c1-10-7-28-17-14-11(16(25)12(18(26)27)6-22(10)14)5-13(19)15(17)21(9-24)4-3-20(2)8-23/h5-6,8-10H,3-4,7H2,1-2H3,(H,26,27)/t10-/m0/s1
InChIKey
HTOKHJLTWLBPPN-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
1
Molar refractivity
97.44
TPSA
109.15

LogP / Solubility

WLOGP
0.84
MLOGP
0.76
XLogP3
0.8
Consensus LogP
0.8
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
Class (SILICOS-IT)
Poorly 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)
-4.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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