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CAS 84587-70-2 2-(PIPERAZIN-1-YL)-ACETIC ACID N-(2-THIAZOLYL)-AMIDE 2 HCL molecular structure lightbox
CAS RN: 84587-70-2

2-(PIPERAZIN-1-YL)-ACETIC ACID N-(2-THIAZOLYL)-AMIDE 2 HCL

  • Product code: SSC-192156
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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 84587-70-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

84587-70-2 / 2-piperazin-1-yl-N-(1,3-thiazol-2-yl)acetamide

Standard CAS: 84587-70-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
84587-70-2
Multi CAS
Yes
Molecular Formula
C9H14N4OS
Molecular Weight
226.300000
Exact Mass
226.088832
InChI
InChI=1S/C9H14N4OS.2ClH/c14-8(12-9-11-3-6-15-9)7-13-4-1-10-2-5-13;;/h3,6,10H,1-2,4-5,7H2,(H,11,12,14);2*1H
InChIKey
QRLHMVLCECKSEI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
60.05
TPSA
57.26

LogP / Solubility

WLOGP
-0.01
MLOGP
-0.01
XLogP3
0.2
Consensus LogP
0.06
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
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)
-4.11

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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