CAS RN: 75914-61-3
3-(1,1-DIMETHYLETHYL)-5(4H)-ISOXAZOLONE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260103 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS75914-61-3
- Purity/Analytical Methods: >99.0%
75914-61-3 / 3-tert-butyl-4H-1,2-oxazol-5-one
Basic Information
CAS
75914-61-3
Multi CAS
No
Molecular Formula
C7H11NO2
Molecular Weight
141.170000
Exact Mass
141.078979
InChI
InChI=1S/C7H11NO2/c1-7(2,3)5-4-6(9)10-8-5/h4H2,1-3H3
InChIKey
NXPNBKNROINPPF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
37.6
TPSA
38.66
LogP / Solubility
WLOGP
1.34
MLOGP
1.17
XLogP3
1.5
Consensus LogP
1.34
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
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)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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