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CAS 19577-82-3 Piperazine, 1-methyl-4-[(2-nitrophenyl)methyl]- molecular structure lightbox
CAS RN: 19577-82-3

Piperazine, 1-methyl-4-[(2-nitrophenyl)methyl]-

  • Product code: SSC-092578
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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: 5g
  • 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 19577-82-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

19577-82-3 / 1-methyl-4-[(2-nitrophenyl)methyl]piperazine

Standard CAS: 19577-82-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19577-82-3
Multi CAS
No
Molecular Formula
C12H17N3O2
Molecular Weight
235.280000
Exact Mass
235.132077
SMILES
CN1CCN(CC1)CC2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C12H17N3O2/c1-13-6-8-14(9-7-13)10-11-4-2-3-5-12(11)15(16)17/h2-5H,6-10H2,1H3
InChIKey
FTWAMEGOZZYQHK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
65.87
TPSA
49.62

LogP / Solubility

WLOGP
1.34
MLOGP
1.19
XLogP3
1.8
Consensus LogP
1.44
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-3.2

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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