![CAS 92926-32-4 6-FLUOROSPIRO[4H-3,1-BENZOXAZINE-4,4′-PIPERIDIN]-2(1H)-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/92926-32-4.gif)
CAS RN: 92926-32-4
6-FLUOROSPIRO[4H-3,1-BENZOXAZINE-4,4′-PIPERIDIN]-2(1H)-ONE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251114 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS92926-32-4
- Purity/Analytical Methods: >99.0%
92926-32-4 / 6-fluorospiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
Basic Information
CAS
92926-32-4
Multi CAS
No
Molecular Formula
C12FH13N2O2
Molecular Weight
236.240000
Exact Mass
236.096106
InChI
InChI=1S/C12H13FN2O2/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
ZHRWOWCJMFGREP-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
60.29
TPSA
50.36
LogP / Solubility
WLOGP
1.97
MLOGP
1.73
XLogP3
1.1
Consensus LogP
1.6
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
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)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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