CAS RN: 2243566-43-8
Azido-PEG3-triethoxysilane
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS2243566-43-8
- Purity/Analytical Methods: >99.0%
2243566-43-8 / 3-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-(3-triethoxysilylpropyl)propanamide
Basic Information
CAS
2243566-43-8
Multi CAS
No
Molecular Formula
C18H38N4O7Si
Molecular Weight
450.600000
Exact Mass
450.250976
SMILES
CCO[Si](CCCNC(=O)CCOCCOCCOCCN=[N+]=[N-])(OCC)OCC
InChI
InChI=1S/C18H38N4O7Si/c1-4-27-30(28-5-2,29-6-3)17-7-9-20-18(23)8-11-24-13-15-26-16-14-25-12-10-21-22-19/h4-17H2,1-3H3,(H,20,23)
InChIKey
BCFMWIGPFZSBNT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Fraction Csp3
0.94
Rotatable bonds
22
H-bond acceptors
8
H-bond donors
1
Molar refractivity
114.15
TPSA
133.24
LogP / Solubility
WLOGP
2.29
MLOGP
2.05
XLogP3
2.29
Consensus LogP
2.21
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.13
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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