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CAS 2460029-00-7 4-nitrobenzyl 2-(((tert-butyldimethylsilyl)oxy)methyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxylate molecular structure lightbox
CAS RN: 2460029-00-7

4-nitrobenzyl 2-(((tert-butyldimethylsilyl)oxy)methyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxylate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250310 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-119422
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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 2460029-00-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

2460029-00-7 / (4-nitrophenyl)methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

Standard CAS: 2460029-00-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2460029-00-7
Multi CAS
No
Molecular Formula
C21H30N4O5Si
Molecular Weight
446.600000
Exact Mass
446.198547
SMILES
CC(C)(C)[Si](C)(C)OCC1=NN2CCN(CC2=C1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C21H30N4O5Si/c1-21(2,3)31(4,5)30-15-17-12-19-13-23(10-11-24(19)22-17)20(26)29-14-16-6-8-18(9-7-16)25(27)28/h6-9,12H,10-11,13-15H2,1-5H3
InChIKey
NKZOUZVNBYCEBX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
11
Fraction Csp3
0.52
Rotatable bonds
6
H-bond acceptors
7
Molar refractivity
117.9
TPSA
99.73

LogP / Solubility

WLOGP
4.47
MLOGP
3.96
XLogP3
4.47
Consensus LogP
4.3
Log S (ESOL)
-5.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.99
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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