CAS RN: 75336-90-2
1,4-Piperazinedicarboxaldehyde,2-methyl-(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.20260225 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS75336-90-2
- Purity/Analytical Methods: >99.0%
75336-90-2 / 2-methylpiperazine-1,4-dicarbaldehyde
Basic Information
CAS
75336-90-2
Multi CAS
No
Molecular Formula
C7H12N2O2
Molecular Weight
156.180000
Exact Mass
156.089878
InChI
InChI=1S/C7H12N2O2/c1-7-4-8(5-10)2-3-9(7)6-11/h5-7H,2-4H2,1H3
InChIKey
BIVIDKSECBOVNI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
39.87
TPSA
40.62
LogP / Solubility
WLOGP
-0.69
MLOGP
-0.62
XLogP3
-0.5
Consensus LogP
-0.6
Log S (ESOL)
-0.24
Class (ESOL)
Very soluble
Log S (Ali)
-0.34
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.34
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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