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CAS 76535-74-5 BOC-PIPERAZINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 76535-74-5

BOC-PIPERAZINE HYDROCHLORIDE

  • Product code: SSC-185947
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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: 25g, 100g
  • 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 76535-74-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry
100g ≥95% 0 Out of Stock Beijing Inquiry

76535-74-5 / tert-butyl piperazine-1-carboxylate;hydrochloride

Standard CAS: 76535-74-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
76535-74-5
Multi CAS
No
Molecular Formula
C9H19CLN2O2
Molecular Weight
222.710000
Exact Mass
222.113506
InChI
InChI=1S/C9H18N2O2.ClH/c1-9(2,3)13-8(12)11-6-4-10-5-7-11;/h10H,4-7H2,1-3H3;1H
InChIKey
DEGRJODPOICGRU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.92
TPSA
41.57

LogP / Solubility

WLOGP
1.25
MLOGP
1.1
XLogP3
1.25
Consensus LogP
1.2
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19

Drug-likeness / Medicinal Chemistry

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

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