![CAS 84060-09-3 SPIRO[4H-3,1-BENZOXAZINE-4,4′-PIPERIDIN]-2(1H)-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/84060-09-3.gif)
CAS RN: 84060-09-3
SPIRO[4H-3,1-BENZOXAZINE-4,4′-PIPERIDIN]-2(1H)-ONE
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.20260204 | 250mg / 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS84060-09-3
- Purity/Analytical Methods: >99.0%
84060-09-3 / spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
Basic Information
CAS
84060-09-3
Multi CAS
Yes
Molecular Formula
C12H14N2O2
Molecular Weight
218.250000
Exact Mass
218.105528
InChI
InChI=1S/C12H14N2O2/c15-11-14-10-4-2-1-3-9(10)12(16-11)5-7-13-8-6-12/h1-4,13H,5-8H2,(H,14,15)
InChIKey
NHUBGKMFTPUSRP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
H-bond acceptors
3
H-bond donors
2
Molar refractivity
60.33
TPSA
50.36
LogP / Solubility
WLOGP
1.83
MLOGP
1.61
XLogP3
1
Consensus LogP
1.48
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
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)
-2.75
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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