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CAS 389628-28-8 tert-butyl 4-picolinoylpiperazine-1-carboxylate molecular structure lightbox
CAS RN: 389628-28-8

tert-butyl 4-picolinoylpiperazine-1-carboxylate

  • Product code: SSC-146582
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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 389628-28-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

389628-28-8 / tert-butyl 4-(pyridine-2-carbonyl)piperazine-1-carboxylate

Standard CAS: 389628-28-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
389628-28-8
Multi CAS
No
Molecular Formula
C15H21N3O3
Molecular Weight
291.350000
Exact Mass
291.158292
InChI
InChI=1S/C15H21N3O3/c1-15(2,3)21-14(20)18-10-8-17(9-11-18)13(19)12-6-4-5-7-16-12/h4-7H,8-11H2,1-3H3
InChIKey
IXIJSXMGDHIBBC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
77.95
TPSA
62.74

LogP / Solubility

WLOGP
1.77
MLOGP
1.57
XLogP3
1.3
Consensus LogP
1.55
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.15
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)
-3.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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