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CAS 215453-81-9 tert-Butyl 4-(dimethylcarbamoyl)piperazine-1-carboxylate, 1-(tert-Butoxycarbonyl)-4-(dimethylcarbamoyl)piperazine molecular structure lightbox
CAS RN: 215453-81-9

tert-Butyl 4-(dimethylcarbamoyl)piperazine-1-carboxylate, 1-(tert-Butoxycarbonyl)-4-(dimethylcarbamoyl)piperazine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251122 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-103258
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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: 0.1g, 0.25g, 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 215453-81-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 0 Out of Stock Shanghai Inquiry
0.25g ≥97% 0 Out of Stock Beijing Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

215453-81-9 / tert-butyl 4-(dimethylcarbamoyl)piperazine-1-carboxylate

Standard CAS: 215453-81-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
215453-81-9
Multi CAS
No
Molecular Formula
C12H23N3O3
Molecular Weight
257.330000
Exact Mass
257.173942
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N(C)C
InChI
InChI=1S/C12H23N3O3/c1-12(2,3)18-11(17)15-8-6-14(7-9-15)10(16)13(4)5/h6-9H2,1-5H3
InChIKey
BVTUDVNBQYLPMZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
68.46
TPSA
53.09

LogP / Solubility

WLOGP
1.22
MLOGP
1.08
XLogP3
0.4
Consensus LogP
0.9
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.42

Drug-likeness / Medicinal Chemistry

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

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