![CAS 1353958-63-0 (2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin-1-yl-Methanone hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62575058(1).gif)
CAS RN: 1353958-63-0
(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin-1-yl-Methanone hydrochloride
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.20250721 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353958-63-0
- Purity/Analytical Methods: >99.0%
1353958-63-0 / 2,3-dihydro-1,4-benzodioxin-5-yl(piperazin-1-yl)methanone;hydrochloride
Basic Information
CAS
1353958-63-0
Multi CAS
No
Molecular Formula
C13H17ClN2O3
Molecular Weight
284.740000
Exact Mass
284.092770
SMILES
C1CN(CCN1)C(=O)C2=C3C(=CC=C2)OCCO3.Cl
InChI
InChI=1S/C13H16N2O3.ClH/c16-13(15-6-4-14-5-7-15)10-2-1-3-11-12(10)18-9-8-17-11;/h1-3,14H,4-9H2;1H
InChIKey
MSHZJXFBTWSYEC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
73.45
TPSA
50.8
LogP / Solubility
WLOGP
0.93
MLOGP
0.82
XLogP3
0.93
Consensus LogP
0.89
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
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)
-3.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 1353960-10-7 4-[(CarboxyMethyl-Methyl-aMino)-Methyl]-piperidine-1-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB82580858(1).gif)
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