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CAS 1197294-80-6 tert-Butyl 4-(4-bromopyridin-2-yl)piperazine-1-carboxylate molecular structure lightbox
CAS RN: 1197294-80-6

tert-Butyl 4-(4-bromopyridin-2-yl)piperazine-1-carboxylate

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7 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250531 100g In stock Shanghai Inquiry
Batchno.20251105 10g In stock Shanghai Inquiry
Batchno.20250719 1g In stock Shanghai, Wuhan Inquiry
Batchno.20260404 1g / 5g / 10g / 25g Out of stock 3-5 business days Inquiry
Batchno.20250321 250mg In stock Shanghai Inquiry
Batchno.20260510 25g In stock Shanghai Inquiry
Batchno.20250608 5g In stock Shanghai, Wuhan Inquiry
  • Product code: SSC-020471
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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: 0.25g
  • Available purity: ≥98%
  • Inventory rows with stock: 1
  • 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 1197294-80-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥98% 4 In Stock Beijing Inquiry

1197294-80-6 / tert-butyl 4-(4-bromo-2-pyridinyl)piperazine-1-carboxylate

TERT-BUTYL 4-(4-BROMOPYRIDIN-2-YL)PIPERAZINE-1-CARBOXYLATE | DTXSID20682408 | RefChem:383502

Standard CAS: 1197294-80-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1197294-80-6
Multi CAS
No
Molecular Formula
C14H20BrN3O2
Molecular Weight
342.230000
Exact Mass
341.073890
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=CC(=C2)Br
InChI
InChI=1S/C14H20BrN3O2/c1-14(2,3)20-13(19)18-8-6-17(7-9-18)12-10-11(15)4-5-16-12/h4-5,10H,6-9H2,1-3H3
InChIKey
WVPSXULRTJKBMJ-UHFFFAOYSA-N
Synonyms
TERT-BUTYL 4-(4-BROMOPYRIDIN-2-YL)PIPERAZINE-1-CARBOXYLATE DTXSID20682408 RefChem:383502 DTXCID20633157 812-075-4

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
81.96
TPSA
45.67

LogP / Solubility

WLOGP
2.9
MLOGP
2.57
XLogP3
2.7
Consensus LogP
2.72
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
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)
-2.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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