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CAS 52578-37-7 ETHYL 2-HYDROXY-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDINE-3-CARBOXYLATE molecular structure lightbox
CAS RN: 52578-37-7

ETHYL 2-HYDROXY-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDINE-3-CARBOXYLATE

  • Product code: SSC-159697
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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 52578-37-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

52578-37-7 / ethyl 2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate

Standard CAS: 52578-37-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
52578-37-7
Multi CAS
No
Molecular Formula
C11H10N2O4
Molecular Weight
234.210000
Exact Mass
234.064057
InChI
InChI=1S/C11H10N2O4/c1-2-17-11(16)8-9(14)12-7-5-3-4-6-13(7)10(8)15/h3-6,14H,2H2,1H3
InChIKey
YZRPKTDJOUNZMV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
59.08
TPSA
80.9

LogP / Solubility

WLOGP
0.58
MLOGP
0.51
XLogP3
0.7
Consensus LogP
0.6
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
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)
-3.74

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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