![CAS 1357354-11-0 2-(2-Bromo-Ethyl)-[1,2]Oxazinane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1357354-11-0.gif)
CAS RN: 1357354-11-0
2-(2-Bromo-Ethyl)-[1,2]Oxazinane
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.20250401 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1357354-11-0
- Purity/Analytical Methods: >99.0%
1357354-11-0 / 2-(2-bromoethyl)oxazinane
Basic Information
CAS
1357354-11-0
Multi CAS
No
Molecular Formula
C6H12BrNO
Molecular Weight
194.070000
Exact Mass
193.010230
SMILES
C1CCON(C1)CCBr
InChI
InChI=1S/C6H12BrNO/c7-3-5-8-4-1-2-6-9-8/h1-6H2
InChIKey
QYPLFXUCNLVTLQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
40.55
TPSA
12.47
LogP / Solubility
WLOGP
1.41
MLOGP
1.24
XLogP3
1.6
Consensus LogP
1.42
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
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)
-2.9
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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