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CAS 165071-10-3 Pazufloxacin Impurity 16 molecular structure lightbox
CAS RN: 165071-10-3

Pazufloxacin Impurity 16

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251211 25mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS165071-10-3
  • Purity/Analytical Methods: >99.0%
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165071-10-3 / (2S)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-6,11-dicarboxylic acid

Standard CAS: 165071-10-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
165071-10-3
Multi CAS
No
Molecular Formula
C14H10FNO6
Molecular Weight
307.230000
Exact Mass
307.049215
SMILES
C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2C(=O)O)F)C(=O)O
InChI
InChI=1S/C14H10FNO6/c1-5-4-22-12-9(14(20)21)8(15)2-6-10(12)16(5)3-7(11(6)17)13(18)19/h2-3,5H,4H2,1H3,(H,18,19)(H,20,21)/t5-/m0/s1
InChIKey
HKPADOCNJRWQBN-YFKPBYRVSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.21
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
72.29
TPSA
105.83

LogP / Solubility

WLOGP
1.49
MLOGP
1.32
XLogP3
1.5
Consensus LogP
1.44
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.13
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)
-3.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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