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CAS 76535-75-6 DI-TERT-BUTYLPIPERAZINE-1,4-DICARBOXYLATE molecular structure lightbox
CAS RN: 76535-75-6

DI-TERT-BUTYLPIPERAZINE-1,4-DICARBOXYLATE

  • Product code: SSC-185948
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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: 10g
  • Available purity: ＞97%
  • 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 76535-75-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Hong Kong Inquiry

76535-75-6 / ditert-butyl piperazine-1,4-dicarboxylate

Standard CAS: 76535-75-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
76535-75-6
Multi CAS
Yes
Molecular Formula
C14H26N2O4
Molecular Weight
286.370000
Exact Mass
286.189257
InChI
InChI=1S/C14H26N2O4/c1-13(2,3)19-11(17)15-7-9-16(10-8-15)12(18)20-14(4,5)6/h7-10H2,1-6H3
InChIKey
YROXEBCFDJQGOH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.86
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
75.61
TPSA
59.08

LogP / Solubility

WLOGP
2.47
MLOGP
2.19
XLogP3
1.8
Consensus LogP
2.15
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly 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)
-2.71

Drug-likeness / Medicinal Chemistry

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

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