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CAS 55513-19-4 1-(3-Fluorobenzyl)piperazine molecular structure lightbox
CAS RN: 55513-19-4

1-(3-Fluorobenzyl)piperazine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251231 200mg / 1g / 5g Confirm by inquiry Shanghai, Guangdong Inquiry
  • Product code: SSC-163446
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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 55513-19-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

55513-19-4 / 1-[(3-fluorophenyl)methyl]piperazine

Standard CAS: 55513-19-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55513-19-4
Multi CAS
Yes
Molecular Formula
C11FH15N2
Molecular Weight
194.250000
Exact Mass
194.121927
InChI
InChI=1S/C11H15FN2/c12-11-3-1-2-10(8-11)9-14-6-4-13-5-7-14/h1-3,8,13H,4-7,9H2
InChIKey
ITHBJSRWFNLKIH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.55
TPSA
15.27

LogP / Solubility

WLOGP
1.23
MLOGP
1.08
XLogP3
1.6
Consensus LogP
1.3
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
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)
-3.03

Drug-likeness / Medicinal Chemistry

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

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