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CAS 209342-41-6 Finafloxacin Hydrochloride molecular structure lightbox
CAS RN: 209342-41-6

Finafloxacin Hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250513 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS209342-41-6
  • Purity/Analytical Methods: >99.0%
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209342-41-6 / 7-[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride

Standard CAS: 209342-41-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
209342-41-6
Multi CAS
No
Molecular Formula
C20H20ClFN4O4
Molecular Weight
434.800000
Exact Mass
434.115711
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)C#N)N4C[C@H]5[C@H](C4)OCCN5)F)C(=O)O.Cl
InChI
InChI=1S/C20H19FN4O4.ClH/c21-14-5-11-17(25(10-1-2-10)7-13(19(11)26)20(27)28)12(6-22)18(14)24-8-15-16(9-24)29-4-3-23-15;/h5,7,10,15-16,23H,1-4,8-9H2,(H,27,28);1H/t15-,16-;/m0./s1
InChIKey
CQMSQUOHWYYEKM-MOGJOVFKSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
10
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
2
Molar refractivity
109.1
TPSA
107.59

LogP / Solubility

WLOGP
1.64
MLOGP
1.48
XLogP3
1.64
Consensus LogP
1.59
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.21
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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