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CAS 1434052-06-8 tert-Butyl 2-nitro-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxylate molecular structure lightbox
CAS RN: 1434052-06-8

tert-Butyl 2-nitro-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxylate

  • Product code: SSC-054803
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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 1434052-06-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1434052-06-8 / tert-butyl 2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

Standard CAS: 1434052-06-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1434052-06-8
Multi CAS
No
Molecular Formula
C11H16N4O4
Molecular Weight
268.270000
Exact Mass
268.117155
SMILES
CC(C)(C)OC(=O)N1CCN2C(=CC(=N2)[N+](=O)[O-])C1
InChI
InChI=1S/C11H16N4O4/c1-11(2,3)19-10(16)13-4-5-14-8(7-13)6-9(12-14)15(17)18/h6H,4-5,7H2,1-3H3
InChIKey
LTWYDNNGKIISEC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.64
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
65.53
TPSA
90.5

LogP / Solubility

WLOGP
1.54
MLOGP
1.37
XLogP3
0.8
Consensus LogP
1.24
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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)
-3.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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