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CAS 162046-65-3 tert-butyl 4-(chlorosulfonyl)piperazine-1-carboxylate molecular structure lightbox
CAS RN: 162046-65-3

tert-butyl 4-(chlorosulfonyl)piperazine-1-carboxylate

  • Product code: SSC-069559
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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: 1g
  • 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 162046-65-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

162046-65-3 / tert-butyl 4-chlorosulfonylpiperazine-1-carboxylate

Standard CAS: 162046-65-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
162046-65-3
Multi CAS
No
Molecular Formula
C9H17ClN2O4S
Molecular Weight
284.760000
Exact Mass
284.059756
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)Cl
InChI
InChI=1S/C9H17ClN2O4S/c1-9(2,3)16-8(13)11-4-6-12(7-5-11)17(10,14)15/h4-7H2,1-3H3
InChIKey
CXEMWUYNUIKMNF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
64.15
TPSA
66.92

LogP / Solubility

WLOGP
1.02
MLOGP
0.91
XLogP3
1
Consensus LogP
0.98
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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