CAS RN: 5038-17-5
Ethanol, 2-2-(2-hydroxyethoxy)ethylamino-
Product Availability
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2 package records0 with current stock2 grade groups
- Product code: starshine_CAS5038-17-5
- Purity/Analytical Methods: >99.0%
5038-17-5 / 2-[2-(2-hydroxyethoxy)ethylamino]ethanol
Basic Information
CAS
5038-17-5
Multi CAS
No
Molecular Formula
C6H15NO3
Molecular Weight
149.190000
Exact Mass
149.105193
InChI
InChI=1S/C6H15NO3/c8-3-1-7-2-5-10-6-4-9/h7-9H,1-6H2
InChIKey
AVUHPLVMRYGTHW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
3
Molar refractivity
37.86
TPSA
61.72
LogP / Solubility
WLOGP
-1.42
MLOGP
-1.26
XLogP3
-1.7
Consensus LogP
-1.46
Log S (ESOL)
0.59
Class (ESOL)
Highly soluble
Log S (Ali)
0.24
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
-0.29
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.64
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
1.5
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