![CAS 1353980-67-2 2,3-Dihydro-benzo[1,4]dioxine-5-carboxylic acid piperidin-4-ylaMide hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB52578623(1).gif)
CAS RN: 1353980-67-2
2,3-Dihydro-benzo[1,4]dioxine-5-carboxylic acid piperidin-4-ylaMide 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.20250716 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353980-67-2
- Purity/Analytical Methods: >99.0%
1353980-67-2 / N-piperidin-4-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride
Basic Information
CAS
1353980-67-2
Multi CAS
No
Molecular Formula
C14H19ClN2O3
Molecular Weight
298.760000
Exact Mass
298.108420
SMILES
C1CNCCC1NC(=O)C2=C3C(=CC=C2)OCCO3.Cl
InChI
InChI=1S/C14H18N2O3.ClH/c17-14(16-10-4-6-15-7-5-10)11-2-1-3-12-13(11)19-9-8-18-12;/h1-3,10,15H,4-9H2,(H,16,17);1H
InChIKey
FKOLJNCNHFZMLI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
78.04
TPSA
59.59
LogP / Solubility
WLOGP
1.36
MLOGP
1.21
XLogP3
1.36
Consensus LogP
1.31
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
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)
-3.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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