CAS RN: 40482-44-8
3-Isopropyl-1,3-oxazolidin-2-one
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS40482-44-8
- Purity/Analytical Methods: >99.0%
40482-44-8 / 3-propan-2-yl-1,3-oxazolidin-2-one
Basic Information
CAS
40482-44-8
Multi CAS
Yes
Molecular Formula
C6H11NO2
Molecular Weight
129.160000
Exact Mass
129.078979
InChI
InChI=1S/C6H11NO2/c1-5(2)7-3-4-9-6(7)8/h5H,3-4H2,1-2H3
InChIKey
GOEGYHBXKPIDJE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
33.19
TPSA
29.54
LogP / Solubility
WLOGP
0.85
MLOGP
0.74
XLogP3
0.7
Consensus LogP
0.76
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.32
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)
-2.91
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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