CAS RN: 1216691-10-9
6-(4-Methylpiperazin-1-yl)picolinaldehyde
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.20250618 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1216691-10-9
- Purity/Analytical Methods: >99.0%
1216691-10-9 / 6-(4-methylpiperazin-1-yl)pyridine-2-carbaldehyde
Basic Information
CAS
1216691-10-9
Multi CAS
No
Molecular Formula
C11H15N3O
Molecular Weight
205.260000
Exact Mass
205.121512
SMILES
CN1CCN(CC1)C2=CC=CC(=N2)C=O
InChI
InChI=1S/C11H15N3O/c1-13-5-7-14(8-6-13)11-4-2-3-10(9-15)12-11/h2-4,9H,5-8H2,1H3
InChIKey
UMWYLDRTTWRNKF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
59.33
TPSA
36.44
LogP / Solubility
WLOGP
0.65
MLOGP
0.57
XLogP3
0.9
Consensus LogP
0.71
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
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)
-3.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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