CAS RN: 850415-38-2
Piperazino-acetic acid-benzylamide 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.20260613 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS850415-38-2
- Purity/Analytical Methods: >99.0%
850415-38-2 / N-benzyl-2-piperazin-1-ylacetamide;hydrochloride
Basic Information
CAS
850415-38-2
Multi CAS
Yes
Molecular Formula
C13H20CLN3O
Molecular Weight
269.770000
Exact Mass
269.129490
InChI
InChI=1S/C13H19N3O.ClH/c17-13(11-16-8-6-14-7-9-16)15-10-12-4-2-1-3-5-12;/h1-5,14H,6-11H2,(H,15,17);1H
InChIKey
JGQLLUXGTGLZMU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
74.85
TPSA
44.37
LogP / Solubility
WLOGP
0.63
MLOGP
0.56
XLogP3
0.63
Consensus LogP
0.61
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
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)
-3.92
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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