CAS RN: 887591-64-2
3-(3-NITRO-PHENYL)-ISOXAZOL-5-YLAMINE
Product Availability
Choose a grade to view its available package options.
5 package records0 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250529 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS887591-64-2
- Purity/Analytical Methods: >99.0%
887591-64-2 / 3-(3-nitrophenyl)-1,2-oxazol-5-amine
Basic Information
CAS
887591-64-2
Multi CAS
No
Molecular Formula
C9H7N3O3
Molecular Weight
205.170000
Exact Mass
205.048741
InChI
InChI=1S/C9H7N3O3/c10-9-5-8(11-15-9)6-2-1-3-7(4-6)12(13)14/h1-5H,10H2
InChIKey
NGNUZXQASHTALT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
53.01
TPSA
95.19
LogP / Solubility
WLOGP
1.83
MLOGP
1.61
XLogP3
1.5
Consensus LogP
1.65
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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