CAS RN: 219635-87-7
Pyridazine, 3-methyl-6-(1-piperazinyl)- (9CI)
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.20250329 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS219635-87-7
- Purity/Analytical Methods: >99.0%
219635-87-7 / 3-methyl-6-piperazin-1-ylpyridazine
Basic Information
CAS
219635-87-7
Multi CAS
No
Molecular Formula
C9H14N4
Molecular Weight
178.230000
Exact Mass
178.121846
SMILES
CC1=NN=C(C=C1)N2CCNCC2
InChI
InChI=1S/C9H14N4/c1-8-2-3-9(12-11-8)13-6-4-10-5-7-13/h2-3,10H,4-7H2,1H3
InChIKey
VJRHTFKXROTZLL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
51.85
TPSA
41.05
LogP / Solubility
WLOGP
0.19
MLOGP
0.17
Consensus LogP
0.12
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.1
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)
-3.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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