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CAS 515160-73-3 1-(4-(2-methoxyethoxy)-2-fluorophenyl)piperazine molecular structure lightbox
CAS RN: 515160-73-3

1-(4-(2-methoxyethoxy)-2-fluorophenyl)piperazine

  • Product code: SSC-158397
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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 515160-73-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

515160-73-3 / 1-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazine

Standard CAS: 515160-73-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
515160-73-3
Multi CAS
No
Molecular Formula
C13FH19N2O2
Molecular Weight
254.300000
Exact Mass
254.143056
InChI
InChI=1S/C13H19FN2O2/c1-17-8-9-18-11-2-3-13(12(14)10-11)16-6-4-15-5-7-16/h2-3,10,15H,4-9H2,1H3
InChIKey
LUDFOQRNTPFENE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.85
TPSA
33.73

LogP / Solubility

WLOGP
1.26
MLOGP
1.12
XLogP3
1.3
Consensus LogP
1.23
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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