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CAS 946759-18-8 3-[3-(TRIFLUOROMETHYL)PHENOXY]PIPERIDINE molecular structure lightbox
CAS RN: 946759-18-8

3-[3-(TRIFLUOROMETHYL)PHENOXY]PIPERIDINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251116 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS946759-18-8
  • Purity/Analytical Methods: >99.0%
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946759-18-8 / 3-[3-(trifluoromethyl)phenoxy]piperidine

Standard CAS: 946759-18-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
946759-18-8
Multi CAS
No
Molecular Formula
C12F3H14NO
Molecular Weight
245.240000
Exact Mass
245.102749
InChI
InChI=1S/C12H14F3NO/c13-12(14,15)9-3-1-4-10(7-9)17-11-5-2-6-16-8-11/h1,3-4,7,11,16H,2,5-6,8H2
InChIKey
AFCIGAUDFUCOEQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.96
TPSA
21.26

LogP / Solubility

WLOGP
2.84
MLOGP
2.5
XLogP3
2.9
Consensus LogP
2.75
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
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)
-2.2

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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