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CAS 1439902-51-8 6′-Fluoro-2′,4′-dihydro-1’H-spiro[piperidine-4,3′-quinoline]-2′-one hydrochlorid molecular structure lightbox
CAS RN: 1439902-51-8

6′-Fluoro-2′,4′-dihydro-1’H-spiro[piperidine-4,3′-quinoline]-2′-one hydrochlorid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260215 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1439902-51-8
  • Purity/Analytical Methods: >99.0%
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1439902-51-8 / 6-fluorospiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one;hydrochloride

Standard CAS: 1439902-51-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1439902-51-8
Multi CAS
No
Molecular Formula
C13H16ClFN2O
Molecular Weight
270.730000
Exact Mass
270.093519
SMILES
C1CNCCC12CC3=C(C=CC(=C3)F)NC2=O.Cl
InChI
InChI=1S/C13H15FN2O.ClH/c14-10-1-2-11-9(7-10)8-13(12(17)16-11)3-5-15-6-4-13;/h1-2,7,15H,3-6,8H2,(H,16,17);1H
InChIKey
LYLVCBCRLZUJBQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.46
H-bond acceptors
2
H-bond donors
2
Molar refractivity
70.52
TPSA
41.13

LogP / Solubility

WLOGP
2.11
MLOGP
1.87
XLogP3
2.11
Consensus LogP
2.03
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.17
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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