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CAS 148120-37-0 1-BENZYL-4-(4-NITROBENZYL)PIPERAZINE molecular structure lightbox
CAS RN: 148120-37-0

1-BENZYL-4-(4-NITROBENZYL)PIPERAZINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250330 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-058535
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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 148120-37-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

148120-37-0 / 1-benzyl-4-[(4-nitrophenyl)methyl]piperazine

Standard CAS: 148120-37-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
148120-37-0
Multi CAS
No
Molecular Formula
C18H21N3O2
Molecular Weight
311.400000
Exact Mass
311.163377
SMILES
C1CN(CCN1CC2=CC=CC=C2)CC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H21N3O2/c22-21(23)18-8-6-17(7-9-18)15-20-12-10-19(11-13-20)14-16-4-2-1-3-5-16/h1-9H,10-15H2
InChIKey
JSPBNJMOQJJJJH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
90.09
TPSA
49.62

LogP / Solubility

WLOGP
2.91
MLOGP
2.58
XLogP3
2.9
Consensus LogP
2.8
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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