![CAS 1350738-87-2 7-BroMo-3,4-dihydro-2H-benzo[b][1,4]oxazine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1350738-87-2.gif)
CAS RN: 1350738-87-2
7-BroMo-3,4-dihydro-2H-benzo[b][1,4]oxazine hydrochloride
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.20251119 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-042991
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 |
1350738-87-2 / 7-bromo-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride
Basic Information
CAS
1350738-87-2
Multi CAS
No
Molecular Formula
C8H9BrClNO
Molecular Weight
250.520000
Exact Mass
248.955600
SMILES
C1COC2=C(N1)C=CC(=C2)Br.Cl
InChI
InChI=1S/C8H8BrNO.ClH/c9-6-1-2-7-8(5-6)11-4-3-10-7;/h1-2,5,10H,3-4H2;1H
InChIKey
QPJKEPXQSCQPEN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.37
TPSA
21.26
LogP / Solubility
WLOGP
2.68
MLOGP
2.36
XLogP3
2.68
Consensus LogP
2.57
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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