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CAS 74632-03-4 Diethyl 4-oxo-1,4-dihydro-3,5-pyridinedicarboxylate molecular structure lightbox
CAS RN: 74632-03-4

Diethyl 4-oxo-1,4-dihydro-3,5-pyridinedicarboxylate

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251021 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS74632-03-4
  • Purity/Analytical Methods: >99.0%
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74632-03-4 / diethyl 4-oxo-1H-pyridine-3,5-dicarboxylate

Standard CAS: 74632-03-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
74632-03-4
Multi CAS
Yes
Molecular Formula
C11H13NO5
Molecular Weight
239.220000
Exact Mass
239.079373
InChI
InChI=1S/C11H13NO5/c1-3-16-10(14)7-5-12-6-8(9(7)13)11(15)17-4-2/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKey
GGMYLXLRJKRWQM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
58.98
TPSA
85.46

LogP / Solubility

WLOGP
0.73
MLOGP
0.65
XLogP3
1
Consensus LogP
0.79
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
Class (SILICOS-IT)
Moderately 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)
-3.66

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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