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CAS 16867-53-1 6-Methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid ethyl ester molecular structure lightbox
CAS RN: 16867-53-1

6-Methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid ethyl ester

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250307 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS16867-53-1
  • Purity/Analytical Methods: >99.0%
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16867-53-1 / ethyl 6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate

Standard CAS: 16867-53-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16867-53-1
Multi CAS
No
Molecular Formula
C12H12N2O3
Molecular Weight
232.230000
Exact Mass
232.084792
SMILES
CCOC(=O)C1=CN=C2C=CC=C(N2C1=O)C
InChI
InChI=1S/C12H12N2O3/c1-3-17-12(16)9-7-13-10-6-4-5-8(2)14(10)11(9)15/h4-7H,3H2,1-2H3
InChIKey
ZLYHSYOPYSDSHB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
62.16
TPSA
60.67

LogP / Solubility

WLOGP
1.18
MLOGP
1.04
XLogP3
1
Consensus LogP
1.07
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.3

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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