![CAS 1823339-95-2 Pyrido[3,2-f]-1,4-oxazepin-5(2H)-one, 7-bromo-3,4-dihydro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823339-95-2.gif)
CAS RN: 1823339-95-2
Pyrido[3,2-f]-1,4-oxazepin-5(2H)-one, 7-bromo-3,4-dihydro-
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.20260130 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-083607
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 | Shenzhen | Inquiry |
1823339-95-2 / 7-bromo-3,4-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-5-one
Basic Information
CAS
1823339-95-2
Multi CAS
No
Molecular Formula
C8H7BrN2O2
Molecular Weight
243.060000
Exact Mass
241.969090
SMILES
C1COC2=C(C=C(C=N2)Br)C(=O)N1
InChI
InChI=1S/C8H7BrN2O2/c9-5-3-6-7(12)10-1-2-13-8(6)11-4-5/h3-4H,1-2H2,(H,10,12)
InChIKey
YTARKWINAIOMJV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.77
TPSA
51.22
LogP / Solubility
WLOGP
0.97
MLOGP
0.86
XLogP3
0.9
Consensus LogP
0.91
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
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)
-3.52
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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