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CAS 1375702-27-4 METHYL 6-(4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL)PYRAZINE-2-CARBOXYLATE molecular structure lightbox
CAS RN: 1375702-27-4

METHYL 6-(4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL)PYRAZINE-2-CARBOXYLATE

  • Product code: SSC-047302
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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: 0.05g, 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 1375702-27-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥97% 0 Out of Stock Shenzhen Inquiry
0.1g ≥97% 0 Out of Stock Beijing Inquiry
0.25g ≥97% 0 Out of Stock Beijing Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

1375702-27-4 / methyl 6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylate

Standard CAS: 1375702-27-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1375702-27-4
Multi CAS
No
Molecular Formula
C15H22N4O4
Molecular Weight
322.360000
Exact Mass
322.164105
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=CN=C2)C(=O)OC
InChI
InChI=1S/C15H22N4O4/c1-15(2,3)23-14(21)19-7-5-18(6-8-19)12-10-16-9-11(17-12)13(20)22-4/h9-10H,5-8H2,1-4H3
InChIKey
AXXYZDFDNVAKST-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
7
Molar refractivity
83.39
TPSA
84.86

LogP / Solubility

WLOGP
1.32
MLOGP
1.18
XLogP3
1.1
Consensus LogP
1.2
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly 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)
-3.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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