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CAS 1065066-04-7 5-Benzyl 2-Ethyl 6,7-Dihydropyrazolo[1,5-A]Pyrazine-2,5(4H)-Dicarboxylate molecular structure lightbox
CAS RN: 1065066-04-7

5-Benzyl 2-Ethyl 6,7-Dihydropyrazolo[1,5-A]Pyrazine-2,5(4H)-Dicarboxylate

  • Product code: SSC-008126
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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 1065066-04-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1065066-04-7 / 5-O-benzyl 2-O-ethyl 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2,5-dicarboxylate

5-Benzyl 2-ethyl 6,7-dihydropyrazolo[1,5-a]pyrazine-2,5(4H)-dicarboxylate | MFCD18792783 | 5-O-benzyl 2-O-ethyl 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2,5-dicarboxylate

Standard CAS: 1065066-04-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1065066-04-7
Multi CAS
No
Molecular Formula
C17H19N3O4
Molecular Weight
329.350000
Exact Mass
329.137556
SMILES
CCOC(=O)C1=NN2CCN(CC2=C1)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C17H19N3O4/c1-2-23-16(21)15-10-14-11-19(8-9-20(14)18-15)17(22)24-12-13-6-4-3-5-7-13/h3-7,10H,2,8-9,11-12H2,1H3
InChIKey
BFGVGSQLABWIKZ-UHFFFAOYSA-N
Synonyms
5-Benzyl 2-ethyl 6,7-dihydropyrazolo[1,5-a]pyrazine-2,5(4H)-dicarboxylate MFCD18792783 5-O-benzyl 2-O-ethyl 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2,5-dicarboxylate 5-benzyl 2-ethyl 4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,5-dicarboxylate SCHEMBL3313601

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
11
Fraction Csp3
0.35
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
85.22
TPSA
73.66

LogP / Solubility

WLOGP
2.21
MLOGP
1.96
XLogP3
1.7
Consensus LogP
1.96
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.16

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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