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CAS 69861-02-5 N-(3-METHACRYLOXY-2-HYDROXYPROPYL)-3-AMINOPROPYLTRIETHOXYSILANE: 50% IN ETHANOL molecular structure lightbox
CAS RN: 69861-02-5

N-(3-METHACRYLOXY-2-HYDROXYPROPYL)-3-AMINOPROPYLTRIETHOXYSILANE: 50% IN ETHANOL

  • Product code: SSC-179631
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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 69861-02-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

69861-02-5 / [2-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl] 2-methylprop-2-enoate

Standard CAS: 69861-02-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
69861-02-5
Multi CAS
Yes
Molecular Formula
C17H38O6Si3
Molecular Weight
422.700000
Exact Mass
422.197619
InChI
InChI=1S/C17H38O6Si3/c1-15(2)17(19)21-14-16(18)13-20-11-10-12-26(9,22-24(3,4)5)23-25(6,7)8/h16,18H,1,10-14H2,2-9H3
InChIKey
NBOCBWJUDBATAS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.82
Rotatable bonds
13
H-bond acceptors
6
H-bond donors
1
Molar refractivity
112.5
TPSA
74.22

LogP / Solubility

WLOGP
3.65
MLOGP
3.24
XLogP3
3.65
Consensus LogP
3.51
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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