![CAS 1609403-99-7 1,4-dihydro-3H-spiro[piperidine-4,2-quinoxalin]-3-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1609403-99-7.gif)
CAS RN: 1609403-99-7
1,4-dihydro-3H-spiro[piperidine-4,2-quinoxalin]-3-one hydrochloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260217 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1609403-99-7
- Purity/Analytical Methods: >99.0%
1609403-99-7 / spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one;hydrochloride
Basic Information
CAS
1609403-99-7
Multi CAS
No
Molecular Formula
C12H16ClN3O
Molecular Weight
253.730000
Exact Mass
253.098190
SMILES
C1CNCCC12C(=O)NC3=CC=CC=C3N2.Cl
InChI
InChI=1S/C12H15N3O.ClH/c16-11-12(5-7-13-8-6-12)15-10-4-2-1-3-9(10)14-11;/h1-4,13,15H,5-8H2,(H,14,16);1H
InChIKey
PLDVZHBLJHFBNQ-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
3
Molar refractivity
70.78
TPSA
53.16
LogP / Solubility
WLOGP
1.59
MLOGP
1.41
XLogP3
1.59
Consensus LogP
1.53
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.14
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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