CAS RN: 61260-55-7
N,N’-Bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
Product Availability
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6 package records3 with current stock2 grade groups
- Product code: ICTB6017
- Purity/Analytical Methods: >98.0%(GC)(T)
61260-55-7 / N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
Basic Information
CAS
61260-55-7
Multi CAS
Yes
Molecular Formula
C24H50N4
Molecular Weight
394.700000
Exact Mass
394.403548
InChI
InChI=1S/C24H50N4/c1-21(2)15-19(16-22(3,4)27-21)25-13-11-9-10-12-14-26-20-17-23(5,6)28-24(7,8)18-20/h19-20,25-28H,9-18H2,1-8H3
InChIKey
UKJARPDLRWBRAX-UHFFFAOYSA-N
Physical Properties
Physical Description
Dry Powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
28
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
4
Molar refractivity
123.1
TPSA
48.12
LogP / Solubility
WLOGP
4.34
MLOGP
3.85
XLogP3
3.5
Consensus LogP
3.9
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.91
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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