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CAS 1443978-76-4 ETHYL 4-HYDROXY-6-METHYLPYRAZOLO[1,5-A]PYRAZINE-2-CARBOXYLATE(WXG02499) molecular structure lightbox
CAS RN: 1443978-76-4

ETHYL 4-HYDROXY-6-METHYLPYRAZOLO[1,5-A]PYRAZINE-2-CARBOXYLATE(WXG02499)

  • Product code: SSC-055602
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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: 5g
  • 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 1443978-76-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1443978-76-4 / ethyl 6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate

Standard CAS: 1443978-76-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1443978-76-4
Multi CAS
No
Molecular Formula
C10H11N3O3
Molecular Weight
221.210000
Exact Mass
221.080041
SMILES
CCOC(=O)C1=NN2C=C(NC(=O)C2=C1)C
InChI
InChI=1S/C10H11N3O3/c1-3-16-10(15)7-4-8-9(14)11-6(2)5-13(8)12-7/h4-5H,3H2,1-2H3,(H,11,14)
InChIKey
NNGDVPAFVGBTBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
56.51
TPSA
76.46

LogP / Solubility

WLOGP
0.51
MLOGP
0.45
XLogP3
0.6
Consensus LogP
0.52
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.71

Drug-likeness / Medicinal Chemistry

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

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