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CAS 1329642-60-5 Enoxacin-(piperazinyl-d8) hydrate molecular structure lightbox
CAS RN: 1329642-60-5

Enoxacin-(piperazinyl-d8) hydrate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250722 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1329642-60-5
  • Purity/Analytical Methods: >99.0%
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1329642-60-5 / 1-ethyl-6-fluoro-7-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

Standard CAS: 1329642-60-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1329642-60-5
Multi CAS
No
Molecular Formula
C15H17FN4O3
Molecular Weight
328.370000
Exact Mass
328.178683
SMILES
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C2=C(C=C3C(=O)C(=CN(C3=N2)CC)C(=O)O)F)([2H])[2H])[2H]
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)/i3D2,4D2,5D2,6D2
InChIKey
IDYZIJYBMGIQMJ-SQUIKQQTSA-N

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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