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CAS 221050-89-1 tert-Butyl 4-(pyriMidin-4-yl)piperazine-1-carboxylate molecular structure lightbox
CAS RN: 221050-89-1

tert-Butyl 4-(pyriMidin-4-yl)piperazine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250107 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-106345
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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 221050-89-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

221050-89-1 / tert-butyl 4-pyrimidin-4-ylpiperazine-1-carboxylate

Standard CAS: 221050-89-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
221050-89-1
Multi CAS
No
Molecular Formula
C13H20N4O2
Molecular Weight
264.320000
Exact Mass
264.158626
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=NC=C2
InChI
InChI=1S/C13H20N4O2/c1-13(2,3)19-12(18)17-8-6-16(7-9-17)11-4-5-14-10-15-11/h4-5,10H,6-9H2,1-3H3
InChIKey
KQDGVJCIWVOYPX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
72.05
TPSA
58.56

LogP / Solubility

WLOGP
1.53
MLOGP
1.36
XLogP3
1.3
Consensus LogP
1.4
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
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)
-3.24

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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