CAS RN: 83841-00-3
R-2-Oxo-4-oxazolidinecarboxylic acid
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: starshine_CAS83841-00-3
- Purity/Analytical Methods: >99.0%
83841-00-3 / 2-oxo-1,3-oxazolidine-4-carboxylic acid
Basic Information
CAS
83841-00-3
Multi CAS
Yes
Molecular Formula
C4H5NO4
Molecular Weight
131.090000
Exact Mass
131.021858
InChI
InChI=1S/C4H5NO4/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)/t2-/m1/s1
InChIKey
XMFFFMBLTDERID-UWTATZPHSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
25.91
TPSA
75.63
LogP / Solubility
WLOGP
-0.82
MLOGP
-0.73
XLogP3
-0.7
Consensus LogP
-0.75
Log S (ESOL)
-0.07
Class (ESOL)
Very soluble
Log S (Ali)
-0.04
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.05
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-4.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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