CAS RN: 288-14-2
Isoxazole
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-130523
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 25g
- Available purity: ≥98%
- Inventory rows with stock: 1
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
288-14-2 / 1,2-oxazole
Basic Information
CAS
288-14-2
Multi CAS
No
Molecular Formula
C3H3NO
Molecular Weight
69.060000
Exact Mass
69.021464
InChI
InChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H
InChIKey
CTAPFRYPJLPFDF-UHFFFAOYSA-N
Physical Properties
Physical Description
Clear light brown liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
5
Aromatic heavy atom count
5
H-bond acceptors
2
Molar refractivity
16.5
TPSA
26.03
LogP / Solubility
WLOGP
0.67
MLOGP
0.58
XLogP3
0.1
Consensus LogP
0.45
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-0.61
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.67
Class (SILICOS-IT)
Very 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)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1
