CAS RN: 63469-23-8
1 1′-((3-(DIMETHYLAMINO)PROPYL)IMINO)-
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6 package records6 with current stock2 grade groups
- Product code: starshine_CAS63469-23-8
- Purity/Analytical Methods: >99.0%
63469-23-8 / 1-[3-(dimethylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol
Basic Information
CAS
63469-23-8
Multi CAS
No
Molecular Formula
C11H26N2O2
Molecular Weight
218.340000
Exact Mass
218.199428
InChI
InChI=1S/C11H26N2O2/c1-10(14)8-13(9-11(2)15)7-5-6-12(3)4/h10-11,14-15H,5-9H2,1-4H3
InChIKey
FFCUXTGIVGMUKC-UHFFFAOYSA-N
Physical Properties
Physical Description
Liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
62.97
TPSA
46.94
LogP / Solubility
XLogP3
0.2
Consensus LogP
0.07
Log S (ESOL)
-0.67
Class (ESOL)
Very soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
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)
-4.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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- Product Code: starshine_CAS63476-06-2
- Purity/Analytical method: >99.0%
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