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CAS 182618-86-6 4-(4-NITROPHENYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER molecular structure lightbox
CAS RN: 182618-86-6

4-(4-NITROPHENYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

Product Availability

Choose a grade to view its available package options.

7 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250109 10g In stock Inquiry
Batchno.20260511 1g In stock Inquiry
Batchno.20250727 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250402 1g In stock Shanghai Inquiry
Batchno.20250130 25g Out of stock Inquiry
Batchno.20250702 5g Out of stock Inquiry
Batchno.20260325 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-084563
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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: 1g, 5g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 182618-86-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shanghai Inquiry
5g ≥95% 1 In Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

182618-86-6 / tert-butyl 4-(4-nitrophenyl)piperazine-1-carboxylate

Standard CAS: 182618-86-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
182618-86-6
Multi CAS
No
Molecular Formula
C15H21N3O4
Molecular Weight
307.340000
Exact Mass
307.153206
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H21N3O4/c1-15(2,3)22-14(19)17-10-8-16(9-11-17)12-4-6-13(7-5-12)18(20)21/h4-7H,8-11H2,1-3H3
InChIKey
MGYCIJUTYLUYJM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
83.12
TPSA
75.92

LogP / Solubility

WLOGP
2.65
MLOGP
2.35
XLogP3
2.5
Consensus LogP
2.5
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71

Drug-likeness / Medicinal Chemistry

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

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