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CAS 1272973-58-6 tert-Butyl 4-(5-hydroxypyrimidin-2-yl)piperazine-1-carboxylate molecular structure lightbox
CAS RN: 1272973-58-6

tert-Butyl 4-(5-hydroxypyrimidin-2-yl)piperazine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260622 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-034835
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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 1272973-58-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1272973-58-6 / tert-butyl 4-(5-hydroxypyrimidin-2-yl)piperazine-1-carboxylate

Standard CAS: 1272973-58-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1272973-58-6
Multi CAS
No
Molecular Formula
C13H20N4O3
Molecular Weight
280.320000
Exact Mass
280.153541
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=N2)O
InChI
InChI=1S/C13H20N4O3/c1-13(2,3)20-12(19)17-6-4-16(5-7-17)11-14-8-10(18)9-15-11/h8-9,18H,4-7H2,1-3H3
InChIKey
QEBOLTCHZIZLDV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
1
Molar refractivity
73.72
TPSA
78.79

LogP / Solubility

WLOGP
1.24
MLOGP
1.1
XLogP3
1
Consensus LogP
1.11
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
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)
-3.55

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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