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CAS 1375064-69-9 Methyl 5-(2-Pyrazinyl)isoxazole-3-carboxylate molecular structure lightbox
CAS RN: 1375064-69-9

Methyl 5-(2-Pyrazinyl)isoxazole-3-carboxylate

  • Product code: SSC-047167
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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: 0.25g, 1g, 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 1375064-69-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 0 Out of Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry
5g >95% 0 Out of Stock Shanghai Inquiry

1375064-69-9 / methyl 5-pyrazin-2-yl-1,2-oxazole-3-carboxylate

Standard CAS: 1375064-69-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1375064-69-9
Multi CAS
No
Molecular Formula
C9H7N3O3
Molecular Weight
205.170000
Exact Mass
205.048741
SMILES
COC(=O)C1=NOC(=C1)C2=NC=CN=C2
InChI
InChI=1S/C9H7N3O3/c1-14-9(13)6-4-8(15-12-6)7-5-10-2-3-11-7/h2-5H,1H3
InChIKey
QTYOSVMGWKRUNY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
48.87
TPSA
78.11

LogP / Solubility

WLOGP
0.92
MLOGP
0.81
XLogP3
0.1
Consensus LogP
0.61
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
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)
-3.32

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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