CAS RN: 89976-75-0
6-AMINO-2H-1,4-BENZOXAZIN-3(4H)-ONE
Product Availability
Choose a grade to view its available package options.
11 package records10 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251112 | 100mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20251017 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250106 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20250624 | 250mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250712 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20260331 | 5g | In stock | Shanghai, Wuhan | Inquiry |
- Product code: SSC-202207
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
89976-75-0 / 6-amino-4H-1,4-benzoxazin-3-one
Basic Information
CAS
89976-75-0
Multi CAS
No
Molecular Formula
C8H8N2O2
Molecular Weight
164.160000
Exact Mass
164.058578
InChI
InChI=1S/C8H8N2O2/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4,9H2,(H,10,11)
InChIKey
GEPGYMHEMLZMBC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
3
H-bond donors
2
Molar refractivity
44.98
TPSA
64.35
LogP / Solubility
WLOGP
0.6
MLOGP
0.52
XLogP3
0.2
Consensus LogP
0.44
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
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)
-3.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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