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CAS 40255-43-4 3-[4-(4-FLUORO-PHENYL)-PIPERAZIN-1-YL]-PROPYLAMINE molecular structure lightbox
CAS RN: 40255-43-4

3-[4-(4-FLUORO-PHENYL)-PIPERAZIN-1-YL]-PROPYLAMINE

  • Product code: SSC-148333
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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: 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 40255-43-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

40255-43-4 / 3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-amine

Standard CAS: 40255-43-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
40255-43-4
Multi CAS
No
Molecular Formula
C13FH20N3
Molecular Weight
237.320000
Exact Mass
237.164126
InChI
InChI=1S/C13H20FN3/c14-12-2-4-13(5-3-12)17-10-8-16(9-11-17)7-1-6-15/h2-5H,1,6-11,15H2
InChIKey
ZIMZCTNITGRQJE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.72
TPSA
32.5

LogP / Solubility

WLOGP
1.3
MLOGP
1.15
XLogP3
1.4
Consensus LogP
1.28
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
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)
-3.25

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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