![CAS 894852-03-0 7-bromo-2,2-dimethyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/894852-03-0.gif)
CAS RN: 894852-03-0
7-bromo-2,2-dimethyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
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.20260415 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS894852-03-0
- Purity/Analytical Methods: >99.0%
894852-03-0 / 7-bromo-2,2-dimethyl-3,4-dihydropyrido[3,2-b][1,4]oxazine
Basic Information
CAS
894852-03-0
Multi CAS
No
Molecular Formula
BC9H11ORn2
Molecular Weight
243.100000
Exact Mass
242.005480
InChI
InChI=1S/C9H11BrN2O/c1-9(2)5-12-8-7(13-9)3-6(10)4-11-8/h3-4H,5H2,1-2H3,(H,11,12)
InChIKey
XJUYXPBVUKUTAO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.44
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.13
TPSA
34.15
LogP / Solubility
WLOGP
2.43
MLOGP
2.14
XLogP3
2.2
Consensus LogP
2.26
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48
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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