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CAS 112398-08-0 DANOFLOXACIN molecular structure lightbox
CAS RN: 112398-08-0

DANOFLOXACIN

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251231 1g In stock Shanghai Inquiry
Batchno.20250811 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250927 25mg / 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Hebei, Shandong, Guangdong, Chongqing Inquiry
Batchno.20260421 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS112398-08-0
  • Purity/Analytical Methods: >99.0%
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112398-08-0 / 1-cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylic acid

Danofloxacin | Danofloxacine | Danofloxacino

Standard CAS: 112398-08-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
112398-08-0
Multi CAS
Yes
Molecular Formula
C19H20FN3O3
Molecular Weight
357.400000
Exact Mass
357.148870
SMILES
CN1C[C@@H]2C[C@H]1CN2C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F
InChI
InChI=1S/C19H20FN3O3/c1-21-7-12-4-11(21)8-22(12)17-6-16-13(5-15(17)20)18(24)14(19(25)26)9-23(16)10-2-3-10/h5-6,9-12H,2-4,7-8H2,1H3,(H,25,26)/t11-,12-/m0/s1
InChIKey
QMLVECGLEOSESV-RYUDHWBXSA-N
Synonyms
Danofloxacin Danofloxacine Danofloxacino Danofloxacinum 24CU1YS91D

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
10
Fraction Csp3
0.47
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
95.57
TPSA
65.78

LogP / Solubility

WLOGP
2.07
MLOGP
1.84
XLogP3
-0.3
Consensus LogP
1.2
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning
GHS Hazard Statements
H319 (87.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H373 (90.9%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H412 (90.9%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P260, P264+P265, P273, P280, P305+P351+P338, P319, P337+P317, and P501

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