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CAS RN: 314728-80-8
1-(4-BENZYLPIPERAZINO)-1-PROPANONE
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.20250614 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS314728-80-8
- Purity/Analytical Methods: >99.0%
314728-80-8 / 1-(4-benzylpiperazin-1-yl)propan-1-one
Basic Information
CAS
314728-80-8
Multi CAS
No
Molecular Formula
C14H20N2O
Molecular Weight
232.320000
Exact Mass
232.157563
InChI
InChI=1S/C14H20N2O/c1-2-14(17)16-10-8-15(9-11-16)12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
InChIKey
HYIIOHRACFSVNW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
68.59
TPSA
23.55
LogP / Solubility
WLOGP
1.74
MLOGP
1.54
XLogP3
1.5
Consensus LogP
1.59
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 314743-72-1 (6-METHYL-4-OXO-1,2,3,4-TETRAHYDRO-CYCLOPENTA[C]CHROMEN-7-YLOXY)-ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/314743-72-1.gif)