![CAS 890839-26-6 1-benzyl-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one(WX142524) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/890839-26-6.gif)
CAS RN: 890839-26-6
1-benzyl-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one(WX142524)
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.20260313 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-200939
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
890839-26-6 / 1-benzyl-3,4-dihydro-2H-1-benzazepin-5-one
Basic Information
CAS
890839-26-6
Multi CAS
No
Molecular Formula
C17H17NO
Molecular Weight
251.320000
Exact Mass
251.131014
InChI
InChI=1S/C17H17NO/c19-17-11-6-12-18(13-14-7-2-1-3-8-14)16-10-5-4-9-15(16)17/h1-5,7-10H,6,11-13H2
InChIKey
OFPFLFCBMYZAJX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
77.5
TPSA
20.31
LogP / Solubility
WLOGP
3.67
MLOGP
3.24
XLogP3
3.4
Consensus LogP
3.44
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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