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CAS 1208542-95-3 tert-Butyl 4-(3-aMinopyrazin-2-yl)piperazine-1-carboxylate molecular structure lightbox
CAS RN: 1208542-95-3

tert-Butyl 4-(3-aMinopyrazin-2-yl)piperazine-1-carboxylate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250327 100mg In stock Shanghai Inquiry
Batchno.20250910 1g In stock Shanghai Inquiry
Batchno.20251214 250mg In stock Shanghai Inquiry
Batchno.20250718 5g In stock Shanghai Inquiry
  • Product code: SSC-022197
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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: ＞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 1208542-95-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1208542-95-3 / tert-butyl 4-(3-aminopyrazin-2-yl)piperazine-1-carboxylate

2-Amino-3-(4-Boc-piperazin-1-yl)pyrazine | tert-butyl 4-(3-aminopyrazin-2-yl)piperazine-1-carboxylate | MFCD11040180

Standard CAS: 1208542-95-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1208542-95-3
Multi CAS
No
Molecular Formula
C13H21N5O2
Molecular Weight
279.340000
Exact Mass
279.169525
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=CN=C2N
InChI
InChI=1S/C13H21N5O2/c1-13(2,3)20-12(19)18-8-6-17(7-9-18)11-10(14)15-4-5-16-11/h4-5H,6-9H2,1-3H3,(H2,14,15)
InChIKey
TVVMFRXXKIFECN-UHFFFAOYSA-N
Synonyms
2-Amino-3-(4-Boc-piperazin-1-yl)pyrazine tert-butyl 4-(3-aminopyrazin-2-yl)piperazine-1-carboxylate MFCD11040180 DTXSID20671892 AKOS015855021

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
76.46
TPSA
84.58

LogP / Solubility

WLOGP
1.12
MLOGP
0.99
XLogP3
0.6
Consensus LogP
0.9
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.63

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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