![CAS 22246-71-5 8-Methoxy-2,3,4,5-tetrahydrobenzo[c]azepin-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/22246-71-5.gif)
CAS RN: 22246-71-5
8-Methoxy-2,3,4,5-tetrahydrobenzo[c]azepin-1-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.20260330 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-107112
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 | Hong Kong | Inquiry |
22246-71-5 / 8-methoxy-2,3,4,5-tetrahydro-2-benzazepin-1-one
Basic Information
CAS
22246-71-5
Multi CAS
No
Molecular Formula
C11H13NO2
Molecular Weight
191.230000
Exact Mass
191.094629
SMILES
COC1=CC2=C(CCCNC2=O)C=C1
InChI
InChI=1S/C11H13NO2/c1-14-9-5-4-8-3-2-6-12-11(13)10(8)7-9/h4-5,7H,2-3,6H2,1H3,(H,12,13)
InChIKey
GPWGAOXFZLKGQY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.65
TPSA
38.33
LogP / Solubility
WLOGP
1.37
MLOGP
1.21
XLogP3
1.6
Consensus LogP
1.39
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
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)
-2.91
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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