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CAS 74443-00-8 ethyl 5-cyano-6-oxo-1,6-dihydropyridine-3-carboxylate molecular structure lightbox
CAS RN: 74443-00-8

ethyl 5-cyano-6-oxo-1,6-dihydropyridine-3-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260202 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS74443-00-8
  • Purity/Analytical Methods: >99.0%
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74443-00-8 / ethyl 5-cyano-6-oxo-1H-pyridine-3-carboxylate

Standard CAS: 74443-00-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
74443-00-8
Multi CAS
No
Molecular Formula
C9H8N2O3
Molecular Weight
192.170000
Exact Mass
192.053492
InChI
InChI=1S/C9H8N2O3/c1-2-14-9(13)7-3-6(4-10)8(12)11-5-7/h3,5H,2H2,1H3,(H,11,12)
InChIKey
VQGMRETZBGIACU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
47.73
TPSA
82.95

LogP / Solubility

WLOGP
0.42
MLOGP
0.37
XLogP3
0.1
Consensus LogP
0.3
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
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)
-3.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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