CAS RN: 884199-34-2
1-Isopropyl-(S )-2-methylpiperazine dihydrochloride
Product Availability
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2 package records1 with current stock1 grade group
- Product code: starshine_CAS884199-34-2
- Purity/Analytical Methods: >99.0%
884199-34-2 / (2S)-2-methyl-1-propan-2-ylpiperazine;dihydrochloride
Basic Information
CAS
884199-34-2
Multi CAS
Yes
Molecular Formula
C8H20CL2N2
Molecular Weight
215.160000
Exact Mass
214.100354
InChI
InChI=1S/C8H18N2.2ClH/c1-7(2)10-5-4-9-6-8(10)3;;/h7-9H,4-6H2,1-3H3;2*1H/t8-;;/m0../s1
InChIKey
KJKVHBPVQISRQG-JZGIKJSDSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.67
TPSA
15.27
LogP / Solubility
WLOGP
1.53
MLOGP
1.35
XLogP3
1.53
Consensus LogP
1.47
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
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)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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