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CAS 946714-62-1 3-(3,4-DIFLUOROPHENOXY)PIPERIDINE molecular structure lightbox
CAS RN: 946714-62-1

3-(3,4-DIFLUOROPHENOXY)PIPERIDINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260415 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS946714-62-1
  • Purity/Analytical Methods: >99.0%
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946714-62-1 / 3-(3,4-difluorophenoxy)piperidine

Standard CAS: 946714-62-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
946714-62-1
Multi CAS
No
Molecular Formula
C11F2H13NO
Molecular Weight
213.220000
Exact Mass
213.096520
InChI
InChI=1S/C11H13F2NO/c12-10-4-3-8(6-11(10)13)15-9-2-1-5-14-7-9/h3-4,6,9,14H,1-2,5,7H2
InChIKey
NDRPULUTXCJBDC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.88
TPSA
21.26

LogP / Solubility

WLOGP
2.1
MLOGP
1.85
XLogP3
2.2
Consensus LogP
2.05
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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