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CAS 352359-09-2 tert-butyl 4-glycyl-1-piperazinecarboxylate(SALTDATA: HCl 0.95H2O) molecular structure lightbox
CAS RN: 352359-09-2

tert-butyl 4-glycyl-1-piperazinecarboxylate(SALTDATA: HCl 0.95H2O)

  • Product code: SSC-142132
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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: ＞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 352359-09-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

352359-09-2 / tert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate

Standard CAS: 352359-09-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
352359-09-2
Multi CAS
Yes
Molecular Formula
C11H21N3O3
Molecular Weight
243.300000
Exact Mass
243.158292
InChI
InChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-6-4-13(5-7-14)9(15)8-12/h4-8,12H2,1-3H3
InChIKey
ZZJVMJWYXXRNPF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.44
TPSA
75.87

LogP / Solubility

WLOGP
0.02
MLOGP
0.03
XLogP3
-0.5
Consensus LogP
-0.15
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
Class (SILICOS-IT)
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)
-4.19

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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