CAS RN: 26635-92-7
POLYOXYETHYLENE(10) STEARYLAMINE ETHER
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9 package records9 with current stock2 grade groups
- Product code: starshine_CAS26635-92-7
- Purity/Analytical Methods: >99.0%
26635-92-7 / 2-[2-[2-(2-hydroxyethoxy)ethyl-octadecylamino]ethoxy]ethanol
Basic Information
CAS
26635-92-7
Multi CAS
No
Molecular Formula
C26H55NO4
Molecular Weight
445.700000
Exact Mass
445.413109
InChI
InChI=1S/C26H55NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(19-23-30-25-21-28)20-24-31-26-22-29/h28-29H,2-26H2,1H3
InChIKey
IEXQFYPEUSYMHN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Fraction Csp3
1
Rotatable bonds
27
H-bond acceptors
5
H-bond donors
2
Molar refractivity
131.8
TPSA
62.16
LogP / Solubility
WLOGP
5.57
MLOGP
4.93
XLogP3
7.4
Consensus LogP
5.97
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.42
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)
-1.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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