CAS RN: 264128-94-1

N-(HYDROXYETHYL)-N,N-BIS(TRIMETHOXYSILYLPROPYL)AMINE, 65% in Methanol

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  • Product code: starshine_CAS264128-94-1
  • Purity/Analytical Methods: >99.0%
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264128-94-1 / 2-[bis(3-trimethoxysilylpropyl)amino]ethanol

Standard CAS: 264128-94-1 Multi CAS: No

Basic Information

CAS
264128-94-1
Multi CAS
No
Molecular Formula
C14H35NO7Si2
Molecular Weight
385.600000
Exact Mass
385.195206
SMILES
CO[Si](CCCN(CCC[Si](OC)(OC)OC)CCO)(OC)OC
InChI
InChI=1S/C14H35NO7Si2/c1-17-23(18-2,19-3)13-7-9-15(11-12-16)10-8-14-24(20-4,21-5)22-6/h16H,7-14H2,1-6H3
InChIKey
DGSKPBHBMSRBOL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
1
Rotatable bonds
16
H-bond acceptors
8
H-bond donors
1
Molar refractivity
95.94
TPSA
78.85

LogP / Solubility

WLOGP
0.82
MLOGP
0.74
XLogP3
0.82
Consensus LogP
0.79
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly 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)
-4.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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