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CAS 18048-06-1 diethyl [2-(diethoxymethylsilyl)ethyl]phosphonate molecular structure lightbox
CAS RN: 18048-06-1

diethyl [2-(diethoxymethylsilyl)ethyl]phosphonate

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Batchno.20250107 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS18048-06-1
  • Purity/Analytical Methods: >99.0%
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18048-06-1 / 2-diethoxyphosphorylethyl-diethoxy-methylsilane

Standard CAS: 18048-06-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18048-06-1
Multi CAS
No
Molecular Formula
C11H27O5PSi
Molecular Weight
298.390000
Exact Mass
298.136537
SMILES
CCO[Si](C)(CCP(=O)(OCC)OCC)OCC
InChI
InChI=1S/C11H27O5PSi/c1-6-13-17(12,14-7-2)10-11-18(5,15-8-3)16-9-4/h6-11H2,1-5H3
InChIKey
UTDZETSWQLQWER-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
11
H-bond acceptors
5
Molar refractivity
75.4
TPSA
53.99

LogP / Solubility

WLOGP
3.4
MLOGP
3
XLogP3
3.4
Consensus LogP
3.27
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.74
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)
-2.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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