CAS RN: 14677-22-6
Isoxazole, 4-methyl-5-phenyl- (6CI,8CI,9CI)
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.20260207 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS14677-22-6
- Purity/Analytical Methods: >99.0%
14677-22-6 / 4-methyl-5-phenyl-1,2-oxazole
Basic Information
CAS
14677-22-6
Multi CAS
No
Molecular Formula
C10H9NO
Molecular Weight
159.180000
Exact Mass
159.068414
SMILES
CC1=C(ON=C1)C2=CC=CC=C2
InChI
InChI=1S/C10H9NO/c1-8-7-11-12-10(8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
ZRJQHYLLYUTCBN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
46.68
TPSA
26.03
LogP / Solubility
WLOGP
2.65
MLOGP
2.33
XLogP3
2.4
Consensus LogP
2.46
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly 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)
-1.81
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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