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CAS 1174046-87-7 ethyl 4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxylate molecular structure lightbox
CAS RN: 1174046-87-7

ethyl 4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxylate

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260331 1g In stock Shanghai, Shandong Inquiry
Batchno.20260302 250mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250204 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: LINE888773
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1174046-87-7 / ethyl 4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxylate

ethyl 4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxylate | C16H16FNO4 | ethyl4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxylate

Standard CAS: 1174046-87-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1174046-87-7
Multi CAS
No
Molecular Formula
C16H16FNO4
Molecular Weight
305.300000
Exact Mass
305.106336
SMILES
CCOC1=C(C(=O)N(C=C1)C2=CC=C(C=C2)F)C(=O)OCC
InChI
InChI=1S/C16H16FNO4/c1-3-21-13-9-10-18(12-7-5-11(17)6-8-12)15(19)14(13)16(20)22-4-2/h5-10H,3-4H2,1-2H3
InChIKey
ALNPUAXQKPJOHV-UHFFFAOYSA-N
Synonyms
ethyl 4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxylate C16H16FNO4 ethyl4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxylate SCHEMBL3665276 ALNPUAXQKPJOHV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
79.12
TPSA
57.53

LogP / Solubility

WLOGP
2.55
MLOGP
2.26
XLogP3
2.5
Consensus LogP
2.44
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.36
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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