![CAS 22246-76-0 8-AMINO-1,3,4,5-TETRAHYDROBENZO[B]AZEPINE-2-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/22246-76-0.gif)
CAS RN: 22246-76-0
8-AMINO-1,3,4,5-TETRAHYDROBENZO[B]AZEPINE-2-ONE
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.20250828 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-107113
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
22246-76-0 / 8-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one
Basic Information
CAS
22246-76-0
Multi CAS
No
Molecular Formula
C10H12N2O
Molecular Weight
176.210000
Exact Mass
176.094963
SMILES
C1CC2=C(C=C(C=C2)N)NC(=O)C1
InChI
InChI=1S/C10H12N2O/c11-8-5-4-7-2-1-3-10(13)12-9(7)6-8/h4-6H,1-3,11H2,(H,12,13)
InChIKey
XRJMPABWIZHNQA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.42
TPSA
55.12
LogP / Solubility
WLOGP
1.54
MLOGP
1.36
XLogP3
0.7
Consensus LogP
1.2
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.09
Class (SILICOS-IT)
Moderately 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)
-2.7
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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