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CAS 215649-84-6 1-(3-Nitrophenyl)piperazin-2-one molecular structure lightbox
CAS RN: 215649-84-6

1-(3-Nitrophenyl)piperazin-2-one

  • Product code: SSC-103360
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 215649-84-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
1g >97% 1 In Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Beijing Inquiry

215649-84-6 / 1-(3-nitrophenyl)piperazin-2-one

Standard CAS: 215649-84-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
215649-84-6
Multi CAS
No
Molecular Formula
C10H11N3O3
Molecular Weight
221.210000
Exact Mass
221.080041
SMILES
C1CN(C(=O)CN1)C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H11N3O3/c14-10-7-11-4-5-12(10)8-2-1-3-9(6-8)13(15)16/h1-3,6,11H,4-5,7H2
InChIKey
VFWUZSXMPSDONN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.32
TPSA
75.48

LogP / Solubility

WLOGP
0.53
MLOGP
0.47
XLogP3
0.5
Consensus LogP
0.5
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
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)
-3.69

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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