CAS RN: 40675-60-3
1-AMINO-4-METHYLPIPERAZINE DIHYDROCHLORIDE MONOHYDRATE
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS40675-60-3
- Purity/Analytical Methods: >99.0%
40675-60-3 / 4-methylpiperazin-1-amine;hydrate;dihydrochloride
Basic Information
CAS
40675-60-3
Multi CAS
Yes
Molecular Formula
C5H17CL2N3O
Molecular Weight
206.110000
Exact Mass
205.074868
InChI
InChI=1S/C5H13N3.2ClH/c1-7-2-4-8(6)5-3-7;;/h2-6H2,1H3;2*1H
InChIKey
MIQKQAFRWSMHEI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.37
TPSA
64
LogP / Solubility
WLOGP
-0.87
MLOGP
-0.77
XLogP3
-0.87
Consensus LogP
-0.84
Log S (ESOL)
-0.57
Class (ESOL)
Very soluble
Log S (Ali)
-0.62
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.27
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)
-4.6
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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