CAS RN: 52320-59-9
5-ETHYL-ISOXAZOLE-3-CARBOXYLIC ACID
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260118 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS52320-59-9
- Purity/Analytical Methods: >99.0%
52320-59-9 / 5-ethyl-1,2-oxazole-3-carboxylic acid
Basic Information
CAS
52320-59-9
Multi CAS
No
Molecular Formula
C6H7NO3
Molecular Weight
141.120000
Exact Mass
141.042593
InChI
InChI=1S/C6H7NO3/c1-2-4-3-5(6(8)9)7-10-4/h3H,2H2,1H3,(H,8,9)
InChIKey
TULZZUANLRGWPM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
32.84
TPSA
63.33
LogP / Solubility
WLOGP
0.94
MLOGP
0.82
XLogP3
1.1
Consensus LogP
0.95
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
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)
-2.92
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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