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CAS 759443-28-2 1-(2,4,6-trifluorophenyl)piperazine molecular structure lightbox
CAS RN: 759443-28-2

1-(2,4,6-trifluorophenyl)piperazine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251107 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS759443-28-2
  • Purity/Analytical Methods: >99.0%
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759443-28-2 / 1-(2,4,6-trifluorophenyl)piperazine

Standard CAS: 759443-28-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
759443-28-2
Multi CAS
No
Molecular Formula
C10F3H11N2
Molecular Weight
216.200000
Exact Mass
216.087433
InChI
InChI=1S/C10H11F3N2/c11-7-5-8(12)10(9(13)6-7)15-3-1-14-2-4-15/h5-6,14H,1-4H2
InChIKey
VXGQMYJMEDLZLB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.4
TPSA
15.27

LogP / Solubility

WLOGP
1.51
MLOGP
1.33
XLogP3
1.7
Consensus LogP
1.51
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
Class (SILICOS-IT)
Moderately 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)
-2.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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