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CAS 103150-78-3 diethyl pyrazine-2,5-dicarboxylate molecular structure lightbox
CAS RN: 103150-78-3

diethyl pyrazine-2,5-dicarboxylate

  • Product code: SSC-004587
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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 103150-78-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

103150-78-3 / diethyl pyrazine-2,5-dicarboxylate

diethyl pyrazine-2,5-dicarboxylate | 2,5-diethyl pyrazine-2,5-dicarboxylate | MFCD28099759

Standard CAS: 103150-78-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
103150-78-3
Multi CAS
No
Molecular Formula
C10H12N2O4
Molecular Weight
224.210000
Exact Mass
224.079707
SMILES
CCOC(=O)C1=CN=C(C=N1)C(=O)OCC
InChI
InChI=1S/C10H12N2O4/c1-3-15-9(13)7-5-12-8(6-11-7)10(14)16-4-2/h5-6H,3-4H2,1-2H3
InChIKey
XVTJYMWIFZRKPF-UHFFFAOYSA-N
Synonyms
diethyl pyrazine-2,5-dicarboxylate 2,5-diethyl pyrazine-2,5-dicarboxylate MFCD28099759 diethylpyrazine-2,5-dicarboxylate SCHEMBL1019601

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
53.95
TPSA
78.38

LogP / Solubility

WLOGP
0.83
MLOGP
0.73
XLogP3
0.9
Consensus LogP
0.82
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.29
Class (SILICOS-IT)
Moderately 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)
-3.5

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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