CAS RN: 214362-07-9

N,N’-BIS(HYDROXYETHYL)-N,N’-BIS(TRIMETHOXYSILYLPROPYL)ETHYLENEDIAMINE

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  • Product code: starshine_CAS214362-07-9
  • Purity/Analytical Methods: >99.0%
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214362-07-9 / 2-[2-[2-hydroxyethyl(3-trimethoxysilylpropyl)amino]ethyl-(3-trimethoxysilylpropyl)amino]ethanol

Standard CAS: 214362-07-9 Multi CAS: No

Basic Information

CAS
214362-07-9
Multi CAS
No
Molecular Formula
C18H44N2O8Si2
Molecular Weight
472.700000
Exact Mass
472.263619
SMILES
CO[Si](CCCN(CCN(CCC[Si](OC)(OC)OC)CCO)CCO)(OC)OC
InChI
InChI=1S/C18H44N2O8Si2/c1-23-29(24-2,25-3)17-7-9-19(13-15-21)11-12-20(14-16-22)10-8-18-30(26-4,27-5)28-6/h21-22H,7-18H2,1-6H3
InChIKey
AFHXHUBTTHIEHJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
1
Rotatable bonds
21
H-bond acceptors
10
H-bond donors
2
Molar refractivity
119.46
TPSA
102.32

LogP / Solubility

WLOGP
0.11
MLOGP
0.13
XLogP3
0.11
Consensus LogP
0.12
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.35
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-5.52

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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