CAS RN: 897359-63-6
N-m-Tolylpiperazine-1-carboxamide
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.20260521 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS897359-63-6
- Purity/Analytical Methods: >99.0%
897359-63-6 / N-(3-methylphenyl)piperazine-1-carboxamide
Basic Information
CAS
897359-63-6
Multi CAS
No
Molecular Formula
C12H17N3O
Molecular Weight
219.280000
Exact Mass
219.137162
InChI
InChI=1S/C12H17N3O/c1-10-3-2-4-11(9-10)14-12(16)15-7-5-13-6-8-15/h2-4,9,13H,5-8H2,1H3,(H,14,16)
InChIKey
OAKPDRKCDSFKIL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
64.64
TPSA
44.37
LogP / Solubility
WLOGP
1.43
MLOGP
1.26
XLogP3
1
Consensus LogP
1.23
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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)
-3.04
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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