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CAS 72141-41-4 (4-NITRO-PHENYL)-PIPERAZIN-1-YL-METHANONE molecular structure lightbox
CAS RN: 72141-41-4

(4-NITRO-PHENYL)-PIPERAZIN-1-YL-METHANONE

  • Product code: SSC-181677
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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: ≥98%
  • 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 72141-41-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry

72141-41-4 / (4-nitrophenyl)-piperazin-1-ylmethanone

Standard CAS: 72141-41-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
72141-41-4
Multi CAS
No
Molecular Formula
C11H13N3O3
Molecular Weight
235.240000
Exact Mass
235.095691
InChI
InChI=1S/C11H13N3O3/c15-11(13-7-5-12-6-8-13)9-1-3-10(4-2-9)14(16)17/h1-4,12H,5-8H2
InChIKey
HIQSQKKHPVVUEJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
61.87
TPSA
75.48

LogP / Solubility

WLOGP
0.64
MLOGP
0.57
XLogP3
0.6
Consensus LogP
0.6
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
Class (SILICOS-IT)
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)
-3.7

Drug-likeness / Medicinal Chemistry

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

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