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CAS 1248908-23-7 1-Benzyl-3-(4-fluorophenyl)piperazine molecular structure lightbox
CAS RN: 1248908-23-7

1-Benzyl-3-(4-fluorophenyl)piperazine

  • Product code: SSC-029191
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1248908-23-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞95% 0 Out of Stock Shanghai Inquiry

1248908-23-7 / 1-benzyl-3-(4-fluorophenyl)piperazine

Standard CAS: 1248908-23-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1248908-23-7
Multi CAS
No
Molecular Formula
C17H19FN2
Molecular Weight
270.340000
Exact Mass
270.153227
SMILES
C1CN(CC(N1)C2=CC=C(C=C2)F)CC3=CC=CC=C3
InChI
InChI=1S/C17H19FN2/c18-16-8-6-15(7-9-16)17-13-20(11-10-19-17)12-14-4-2-1-3-5-14/h1-9,17,19H,10-13H2
InChIKey
SMWIICFQVYKFRT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
78.86
TPSA
15.27

LogP / Solubility

WLOGP
2.97
MLOGP
2.62
XLogP3
2.7
Consensus LogP
2.76
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.24
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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