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CAS 120743-99-9 4-((TERT-BUTYLDIMETHYLSILYL)OXY)BENZALD& molecular structure lightbox
CAS RN: 120743-99-9

4-((TERT-BUTYLDIMETHYLSILYL)OXY)BENZALD&

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250215 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-021956
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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: ≥97%
  • 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 120743-99-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

120743-99-9 / 4-[tert-butyl(dimethyl)silyl]oxybenzaldehyde

4-[(tert-Butyldimethylsilyl)oxy]benzaldehyde | 4-((tert-Butyldimethylsilyl)oxy)benzaldehyde | RefChem:509979

Standard CAS: 120743-99-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
120743-99-9
Multi CAS
No
Molecular Formula
C13H20O2Si
Molecular Weight
236.380000
Exact Mass
236.123256
SMILES
CC(C)(C)[Si](C)(C)OC1=CC=C(C=C1)C=O
InChI
InChI=1S/C13H20O2Si/c1-13(2,3)16(4,5)15-12-8-6-11(10-14)7-9-12/h6-10H,1-5H3
InChIKey
XACWSBWCLJXKGI-UHFFFAOYSA-N
Synonyms
4-[(tert-Butyldimethylsilyl)oxy]benzaldehyde 4-((tert-Butyldimethylsilyl)oxy)benzaldehyde RefChem:509979 626-141-3 4-(t-Butyldimethylsilyloxy)benzaldehyde

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
69.65
TPSA
26.3

LogP / Solubility

WLOGP
3.88
MLOGP
3.42
XLogP3
3.88
Consensus LogP
3.73
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.4

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H413 (97.6%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264+P265, P273, P280, P305+P354+P338, P317, and P501

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