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CAS 463337-53-3 Ethanone, 1-(4-methoxy-2-pyrimidinyl)- (9CI) molecular structure lightbox
CAS RN: 463337-53-3

Ethanone, 1-(4-methoxy-2-pyrimidinyl)- (9CI)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250908 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS463337-53-3
  • Purity/Analytical Methods: >99.0%
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463337-53-3 / 1-(4-methoxypyrimidin-2-yl)ethanone

Standard CAS: 463337-53-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
463337-53-3
Multi CAS
No
Molecular Formula
C7H8N2O2
Molecular Weight
152.150000
Exact Mass
152.058578
InChI
InChI=1S/C7H8N2O2/c1-5(10)7-8-4-3-6(9-7)11-2/h3-4H,1-2H3
InChIKey
GKOXITHQVTZTSR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
38.59
TPSA
52.08

LogP / Solubility

WLOGP
0.69
MLOGP
0.6
XLogP3
0.5
Consensus LogP
0.6
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
Class (SILICOS-IT)
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)
-3.16

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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