CAS RN: 23008-68-6
1,2-Benzisoxazole-3-acetamide
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.20250116 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS23008-68-6
- Purity/Analytical Methods: >99.0%
23008-68-6 / 2-(1,2-benzoxazol-3-yl)acetamide
Basic Information
CAS
23008-68-6
Multi CAS
No
Molecular Formula
C9H8N2O2
Molecular Weight
176.170000
Exact Mass
176.058578
SMILES
C1=CC=C2C(=C1)C(=NO2)CC(=O)N
InChI
InChI=1S/C9H8N2O2/c10-9(12)5-7-6-3-1-2-4-8(6)13-11-7/h1-4H,5H2,(H2,10,12)
InChIKey
WAOWHBKLGGZHMR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.91
TPSA
69.12
LogP / Solubility
WLOGP
0.86
MLOGP
0.75
XLogP3
0.6
Consensus LogP
0.74
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
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)
-3.19
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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