CAS RN: 1407858-88-1
2,3-dihydro-2-oxo-5-Oxazolecarboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250522 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS1407858-88-1
- Purity/Analytical Methods: >99.0%
1407858-88-1 / 2-oxo-3H-1,3-oxazole-5-carboxylic acid
Basic Information
CAS
1407858-88-1
Multi CAS
No
Molecular Formula
C4H3NO4
Molecular Weight
129.070000
Exact Mass
129.006208
SMILES
C1=C(OC(=O)N1)C(=O)O
InChI
InChI=1S/C4H3NO4/c6-3(7)2-1-5-4(8)9-2/h1H,(H,5,8)(H,6,7)
InChIKey
JYNCBJSUVBTQPI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
26.29
TPSA
83.3
LogP / Solubility
WLOGP
-0.33
MLOGP
-0.3
XLogP3
-0.5
Consensus LogP
-0.38
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-0.38
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.34
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.74
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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