CAS RN: 68776-58-9
4-CYANOISOXAZOLE
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.20250313 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS68776-58-9
- Purity/Analytical Methods: >99.0%
68776-58-9 / 1,2-oxazole-4-carbonitrile
Basic Information
CAS
68776-58-9
Multi CAS
No
Molecular Formula
C4H2N2O
Molecular Weight
94.070000
Exact Mass
94.016713
InChI
InChI=1S/C4H2N2O/c5-1-4-2-6-7-3-4/h2-3H
InChIKey
ONJYXAHBSGPICV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
5
H-bond acceptors
3
Molar refractivity
21.22
TPSA
49.82
LogP / Solubility
WLOGP
0.55
MLOGP
0.47
XLogP3
0.1
Consensus LogP
0.37
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-0.73
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.72
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)
-2.91
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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