CAS RN: 885273-52-9
3-(3-FLUORO-PHENYL)-ISOXAZOLE-5-CARBALDEHYDE
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.20250814 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS885273-52-9
- Purity/Analytical Methods: >99.0%
885273-52-9 / 3-(3-fluorophenyl)-1,2-oxazole-5-carbaldehyde
Basic Information
CAS
885273-52-9
Multi CAS
No
Molecular Formula
C10FH6NO2
Molecular Weight
191.160000
Exact Mass
191.038257
InChI
InChI=1S/C10H6FNO2/c11-8-3-1-2-7(4-8)10-5-9(6-13)14-12-10/h1-6H
InChIKey
FMVCEZDURIQSCF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
47.28
TPSA
43.1
LogP / Solubility
WLOGP
2.29
MLOGP
2.02
XLogP3
1.9
Consensus LogP
2.07
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
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)
-2.26
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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