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CAS 60759-49-1 3-Acetyl-2(3H)-oxazolone molecular structure lightbox
CAS RN: 60759-49-1

3-Acetyl-2(3H)-oxazolone

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2 package records0 with current stock1 grade group
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Batchno.20260519 1g Out of stock Inquiry
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  • Product code: starshine_CAS60759-49-1
  • Purity/Analytical Methods: >99.0%
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60759-49-1 / 3-acetyl-1,3-oxazol-2-one

Standard CAS: 60759-49-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
60759-49-1
Multi CAS
No
Molecular Formula
C5H5NO3
Molecular Weight
127.100000
Exact Mass
127.026943
InChI
InChI=1S/C5H5NO3/c1-4(7)6-2-3-9-5(6)8/h2-3H,1H3
InChIKey
VIGLDWMUCWLDBE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.2
H-bond acceptors
4
Molar refractivity
29.27
TPSA
52.21

LogP / Solubility

WLOGP
0.1
MLOGP
0.08
XLogP3
-0.3
Consensus LogP
-0.04
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-0.68
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.57
Class (SILICOS-IT)
Very 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)
-3.42

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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