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CAS 856418-80-9 tert-Butyl 4-[(2-amino-1,3-thiazol-4-yl)methyl]piperazine-1-carboxylate molecular structure lightbox
CAS RN: 856418-80-9

tert-Butyl 4-[(2-amino-1,3-thiazol-4-yl)methyl]piperazine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250225 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-194134
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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 856418-80-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

856418-80-9 / tert-butyl 4-[(2-amino-1,3-thiazol-4-yl)methyl]piperazine-1-carboxylate

Standard CAS: 856418-80-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
856418-80-9
Multi CAS
No
Molecular Formula
C13H22N4O2S
Molecular Weight
298.410000
Exact Mass
298.146347
InChI
InChI=1S/C13H22N4O2S/c1-13(2,3)19-12(18)17-6-4-16(5-7-17)8-10-9-20-11(14)15-10/h9H,4-8H2,1-3H3,(H2,14,15)
InChIKey
IIGGWVSIWMLZRW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
5
Fraction Csp3
0.69
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
79.61
TPSA
71.69

LogP / Solubility

WLOGP
1.78
MLOGP
1.58
XLogP3
1.1
Consensus LogP
1.49
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
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)
-3.28

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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