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CAS 312904-87-3 ETHYL 2-(3-HYDROXY-2-OXOPYRAZIN-1(2H)-YL)ACETATE molecular structure lightbox
CAS RN: 312904-87-3

ETHYL 2-(3-HYDROXY-2-OXOPYRAZIN-1(2H)-YL)ACETATE

  • Product code: SSC-136585
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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: ≥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 312904-87-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

312904-87-3 / ethyl 2-(2,3-dioxo-1H-pyrazin-4-yl)acetate

Standard CAS: 312904-87-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
312904-87-3
Multi CAS
Yes
Molecular Formula
C8H10N2O4
Molecular Weight
198.180000
Exact Mass
198.064057
InChI
InChI=1S/C8H10N2O4/c1-2-14-6(11)5-10-4-3-9-7(12)8(10)13/h3-4H,2,5H2,1H3,(H,9,12)
InChIKey
YQIWYZDBGDASKD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
47.96
TPSA
81.16

LogP / Solubility

WLOGP
-0.9
MLOGP
-0.79
XLogP3
-0.5
Consensus LogP
-0.73
Log S (ESOL)
-0.62
Class (ESOL)
Very soluble
Log S (Ali)
-0.54
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.56
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.57

Drug-likeness / Medicinal Chemistry

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

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