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CAS 114097-17-5 ethyl 3-hydroxypyrido[2,3-b]pyrazine-2-carboxylate molecular structure lightbox
CAS RN: 114097-17-5

ethyl 3-hydroxypyrido[2,3-b]pyrazine-2-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260220 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-013985
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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 114097-17-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

114097-17-5 / ethyl 3-oxo-4H-pyrido[2,3-b]pyrazine-2-carboxylate

ethyl 3-oxo-3,4-dihydropyrido[2,3-b]pyrazine-2-carboxylate | MFCD24445672 | ethyl 3-oxo-4H-pyrido[2,3-b]pyrazine-2-carboxylate

Standard CAS: 114097-17-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
114097-17-5
Multi CAS
Yes
Molecular Formula
C10H9N3O3
Molecular Weight
219.200000
Exact Mass
219.064391
SMILES
CCOC(=O)C1=NC2=C(NC1=O)N=CC=C2
InChI
InChI=1S/C10H9N3O3/c1-2-16-10(15)7-9(14)13-8-6(12-7)4-3-5-11-8/h3-5H,2H2,1H3,(H,11,13,14)
InChIKey
ICURIHAQCHEMSG-UHFFFAOYSA-N
Synonyms
ethyl 3-oxo-3,4-dihydropyrido[2,3-b]pyrazine-2-carboxylate MFCD24445672 ethyl 3-oxo-4H-pyrido[2,3-b]pyrazine-2-carboxylate NSC73567 NSC-73567

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
56.12
TPSA
84.94

LogP / Solubility

WLOGP
0.49
MLOGP
0.44
XLogP3
0.6
Consensus LogP
0.51
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-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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