CAS RN: 25163-98-8
4-ISOBUTYL-2-PHENYL-2-OXAZOLINE-5-ONE
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250322 | 10g | In stock | Shanghai | Inquiry | |
| Batchno.20250219 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20251103 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20251212 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250830 | 25g | In stock | Shanghai | Inquiry | |
| Batchno.20260530 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS25163-98-8
- Purity/Analytical Methods: >99.0%
25163-98-8 / 4-(2-methylpropyl)-2-phenyl-4H-1,3-oxazol-5-one
Basic Information
CAS
25163-98-8
Multi CAS
No
Molecular Formula
C13H15NO2
Molecular Weight
217.260000
Exact Mass
217.110279
SMILES
CC(C)CC1C(=O)OC(=N1)C2=CC=CC=C2
InChI
InChI=1S/C13H15NO2/c1-9(2)8-11-13(15)16-12(14-11)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKey
OPHIINOMBFPLBL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
62.31
TPSA
38.66
LogP / Solubility
WLOGP
2.4
MLOGP
2.12
XLogP3
3.2
Consensus LogP
2.57
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly 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)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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