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CAS 1442077-04-4 3,3-dimethoxy-2,15,18,21-Tetraoxa-3-siladocosane molecular structure lightbox
CAS RN: 1442077-04-4

3,3-dimethoxy-2,15,18,21-Tetraoxa-3-siladocosane

  • Product code: SSC-055414
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1442077-04-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1442077-04-4 / trimethoxy-[11-[2-(2-methoxyethoxy)ethoxy]undecyl]silane

Standard CAS: 1442077-04-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1442077-04-4
Multi CAS
No
Molecular Formula
C19H42O6Si
Molecular Weight
394.600000
Exact Mass
394.275066
SMILES
COCCOCCOCCCCCCCCCCC[Si](OC)(OC)OC
InChI
InChI=1S/C19H42O6Si/c1-20-15-16-25-18-17-24-14-12-10-8-6-5-7-9-11-13-19-26(21-2,22-3)23-4/h5-19H2,1-4H3
InChIKey
SHJMBUCLKYQUAX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
1
Rotatable bonds
21
H-bond acceptors
6
Molar refractivity
106.66
TPSA
55.38

LogP / Solubility

WLOGP
4.06
MLOGP
3.59
XLogP3
4.06
Consensus LogP
3.9
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-8.11
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.25

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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