![CAS 92926-60-8 6-Bromospiro[benzo[d][1,3]oxazine-4,4′-piperidin]-2(1H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/92926-60-8.gif)
CAS RN: 92926-60-8
6-Bromospiro[benzo[d][1,3]oxazine-4,4′-piperidin]-2(1H)-one
Product Availability
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2 package records0 with current stock1 grade group
- Product code: starshine_CAS92926-60-8
- Purity/Analytical Methods: >99.0%
92926-60-8 / 6-bromospiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
Basic Information
CAS
92926-60-8
Multi CAS
No
Molecular Formula
BC12H13O2Rn2
Molecular Weight
297.150000
Exact Mass
296.016040
InChI
InChI=1S/C12H13BrN2O2/c13-8-1-2-10-9(7-8)12(17-11(16)15-10)3-5-14-6-4-12/h1-2,7,14H,3-6H2,(H,15,16)
InChIKey
LGBKBIZUZZZSIB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
H-bond acceptors
3
H-bond donors
2
Molar refractivity
68.03
TPSA
50.36
LogP / Solubility
WLOGP
2.59
MLOGP
2.29
XLogP3
1.7
Consensus LogP
2.19
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
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)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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