CAS RN: 1432-43-5
3-Acetyl-2-oxazolidinone
Product Availability
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5 package records5 with current stock2 grade groups
- Product code: starshine_CAS1432-43-5
- Purity/Analytical Methods: >99.0%
1432-43-5 / 3-acetyl-1,3-oxazolidin-2-one
Basic Information
CAS
1432-43-5
Multi CAS
No
Molecular Formula
C5H7NO3
Molecular Weight
129.110000
Exact Mass
129.042593
SMILES
CC(=O)N1CCOC1=O
InChI
InChI=1S/C5H7NO3/c1-4(7)6-2-3-9-5(6)8/h2-3H2,1H3
InChIKey
COCHMAAUXSQMED-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.6
H-bond acceptors
3
Molar refractivity
28.73
TPSA
46.61
LogP / Solubility
WLOGP
-0.01
MLOGP
-0.02
XLogP3
-0.3
Consensus LogP
-0.11
Log S (ESOL)
-0.63
Class (ESOL)
Very soluble
Log S (Ali)
-0.61
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.49
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)
-3.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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