![CAS 753440-87-8 Spiro[piperidine-4,4-[4H]pyrido[2,3-d][1,3]oxazin]-2(1H)-one (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/753440-87-8.gif)
CAS RN: 753440-87-8
Spiro[piperidine-4,4-[4H]pyrido[2,3-d][1,3]oxazin]-2(1H)-one (9CI)
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260501 | 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS753440-87-8
- Purity/Analytical Methods: >99.0%
753440-87-8 / spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one
Basic Information
CAS
753440-87-8
Multi CAS
No
Molecular Formula
C11H13N3O2
Molecular Weight
219.240000
Exact Mass
219.100777
InChI
InChI=1S/C11H13N3O2/c15-10-14-9-8(2-1-5-13-9)11(16-10)3-6-12-7-4-11/h1-2,5,12H,3-4,6-7H2,(H,13,14,15)
InChIKey
HNGKYJPFWVQZSF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
H-bond acceptors
4
H-bond donors
2
Molar refractivity
58.12
TPSA
63.25
LogP / Solubility
WLOGP
1.22
MLOGP
1.08
XLogP3
0.3
Consensus LogP
0.87
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.1
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)
-3.19
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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