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CAS 143999-83-1 2-(4-CHLORO-PHENOXY)-1-PIPERAZIN-1-YL-ETHANONE molecular structure lightbox
CAS RN: 143999-83-1

2-(4-CHLORO-PHENOXY)-1-PIPERAZIN-1-YL-ETHANONE

  • Product code: SSC-055253
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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 143999-83-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

143999-83-1 / 2-(4-chlorophenoxy)-1-piperazin-1-ylethanone

Standard CAS: 143999-83-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
143999-83-1
Multi CAS
No
Molecular Formula
C12H15ClN2O2
Molecular Weight
254.710000
Exact Mass
254.082205
SMILES
C1CN(CCN1)C(=O)COC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H15ClN2O2/c13-10-1-3-11(4-2-10)17-9-12(16)15-7-5-14-6-8-15/h1-4,14H,5-9H2
InChIKey
TYCJFZIWSCJVJW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.4
TPSA
41.57

LogP / Solubility

WLOGP
1.15
MLOGP
1.02
XLogP3
1.1
Consensus LogP
1.09
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
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)
-3.46

Drug-likeness / Medicinal Chemistry

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

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