CAS RN: 478031-36-6
4-Isoxazolecarboxamide,N,3,5-trimethyl-(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.20250813 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS478031-36-6
- Purity/Analytical Methods: >99.0%
478031-36-6 / N,3,5-trimethyl-1,2-oxazole-4-carboxamide
Basic Information
CAS
478031-36-6
Multi CAS
No
Molecular Formula
C7H10N2O2
Molecular Weight
154.170000
Exact Mass
154.074228
InChI
InChI=1S/C7H10N2O2/c1-4-6(7(10)8-3)5(2)11-9-4/h1-3H3,(H,8,10)
InChIKey
DXUWUHDVNDSMPT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.37
TPSA
55.13
LogP / Solubility
WLOGP
0.65
MLOGP
0.57
XLogP3
0.4
Consensus LogP
0.54
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.32
Class (SILICOS-IT)
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)
-3.2
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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