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CAS 17938-06-6 1-NAPHTHYLTRIETHOXYSILANE molecular structure lightbox
CAS RN: 17938-06-6

1-NAPHTHYLTRIETHOXYSILANE

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260209 100g Out of stock Inquiry
Batchno.20250927 25g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250226 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250307 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS17938-06-6
  • Purity/Analytical Methods: >99.0%
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17938-06-6 / triethoxy(naphthalen-1-yl)silane

Standard CAS: 17938-06-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17938-06-6
Multi CAS
No
Molecular Formula
C16H22O3Si
Molecular Weight
290.430000
Exact Mass
290.133821
SMILES
CCO[Si](C1=CC=CC2=CC=CC=C21)(OCC)OCC
InChI
InChI=1S/C16H22O3Si/c1-4-17-20(18-5-2,19-6-3)16-13-9-11-14-10-7-8-12-15(14)16/h7-13H,4-6H2,1-3H3
InChIKey
ZJEYUFMTCHLQQI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
84.21
TPSA
27.69

LogP / Solubility

WLOGP
3.1
MLOGP
2.73
XLogP3
3.1
Consensus LogP
2.98
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

GHS Hazard Statements
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501

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