CAS RN: 1353504-07-0
1-piperazin-1-ylacetone dihydrochloride
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.20251207 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1353504-07-0
- Purity/Analytical Methods: >99.0%
1353504-07-0 / 1-piperazin-1-ylpropan-2-one;dihydrochloride
Basic Information
CAS
1353504-07-0
Multi CAS
No
Molecular Formula
C7H16Cl2N2O
Molecular Weight
215.120000
Exact Mass
214.063969
SMILES
CC(=O)CN1CCNCC1.Cl.Cl
InChI
InChI=1S/C7H14N2O.2ClH/c1-7(10)6-9-4-2-8-3-5-9;;/h8H,2-6H2,1H3;2*1H
InChIKey
UIDYHGUMBHBTCS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.49
TPSA
32.34
LogP / Solubility
WLOGP
0.32
MLOGP
0.29
XLogP3
0.32
Consensus LogP
0.31
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
Class (SILICOS-IT)
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
No
Synthetic Accessibility
1.5
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