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CAS 193902-78-2 1-BOC-4-(5-NITRO-2-PYRIDYL)PIPERAZINE molecular structure lightbox
CAS RN: 193902-78-2

1-BOC-4-(5-NITRO-2-PYRIDYL)PIPERAZINE

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250123 10g In stock Inquiry
Batchno.20250718 1g In stock Inquiry
Batchno.20250829 250mg In stock Inquiry
Batchno.20250218 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250916 5g / 25g / 100g / 500g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-091577
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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 193902-78-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

193902-78-2 / tert-butyl 4-(5-nitro-2-pyridinyl)piperazine-1-carboxylate

Standard CAS: 193902-78-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
193902-78-2
Multi CAS
No
Molecular Formula
C14H20N4O4
Molecular Weight
308.330000
Exact Mass
308.148455
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H20N4O4/c1-14(2,3)22-13(19)17-8-6-16(7-9-17)12-5-4-11(10-15-12)18(20)21/h4-5,10H,6-9H2,1-3H3
InChIKey
WWFJYZONBJARJT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
80.91
TPSA
88.81

LogP / Solubility

WLOGP
2.05
MLOGP
1.81
XLogP3
1.8
Consensus LogP
1.89
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15

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

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501

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