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CAS 18410-39-4 2-(TRIMETHYLSILYL)-6-METHOXYNAPHTHALENE molecular structure lightbox
CAS RN: 18410-39-4

2-(TRIMETHYLSILYL)-6-METHOXYNAPHTHALENE

  • Product code: SSC-085147
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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 18410-39-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

18410-39-4 / (6-methoxynaphthalen-2-yl)-trimethylsilane

Standard CAS: 18410-39-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18410-39-4
Multi CAS
No
Molecular Formula
C14H18OSi
Molecular Weight
230.380000
Exact Mass
230.112692
SMILES
COC1=CC2=C(C=C1)C=C(C=C2)[Si](C)(C)C
InChI
InChI=1S/C14H18OSi/c1-15-13-7-5-12-10-14(16(2,3)4)8-6-11(12)9-13/h5-10H,1-4H3
InChIKey
IJKUYSNOUZQDMQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
73.48
TPSA
9.23

LogP / Solubility

WLOGP
3.39
MLOGP
2.99
XLogP3
3.39
Consensus LogP
3.26
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.21
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)
-1.72

Drug-likeness / Medicinal Chemistry

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

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