CAS RN: 2439-92-1
4-PHENYLISOXAZOLE
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.20250705 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2439-92-1
- Purity/Analytical Methods: >99.0%
2439-92-1 / 4-phenyl-1,2-oxazole
Basic Information
CAS
2439-92-1
Multi CAS
No
Molecular Formula
C9H7NO
Molecular Weight
145.160000
Exact Mass
145.052764
SMILES
C1=CC=C(C=C1)C2=CON=C2
InChI
InChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-6-10-11-7-9/h1-7H
InChIKey
KEVAZWIBJQZOHC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
41.94
TPSA
26.03
LogP / Solubility
WLOGP
2.34
MLOGP
2.05
XLogP3
2
Consensus LogP
2.13
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.94
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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