CAS RN: 494782-69-3
N,N-DIMETHYL-2-(PIPERAZIN-1-YL)BENZAMIDE OXALATE
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.20260111 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS494782-69-3
- Purity/Analytical Methods: >99.0%
494782-69-3 / N,N-dimethyl-2-piperazin-1-ylbenzamide
Basic Information
CAS
494782-69-3
Multi CAS
Yes
Molecular Formula
C13H19N3O
Molecular Weight
233.310000
Exact Mass
233.152812
InChI
InChI=1S/C13H19N3O/c1-15(2)13(17)11-5-3-4-6-12(11)16-9-7-14-8-10-16/h3-6,14H,7-10H2,1-2H3
InChIKey
SOGDLNPIYKUCQX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.54
TPSA
35.58
LogP / Solubility
WLOGP
0.8
MLOGP
0.71
XLogP3
0.8
Consensus LogP
0.77
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.08
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)
-3.58
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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