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CAS 99815-16-4 3,4-Bis(tert-butyldiMethylsilyloxy)benzaldehyde molecular structure lightbox
CAS RN: 99815-16-4

3,4-Bis(tert-butyldiMethylsilyloxy)benzaldehyde

  • Product code: SSC-213354
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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 99815-16-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

99815-16-4 / 3,4-bis[[tert-butyl(dimethyl)silyl]oxy]benzaldehyde

Standard CAS: 99815-16-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
99815-16-4
Multi CAS
No
Molecular Formula
C19H34O3Si2
Molecular Weight
366.600000
Exact Mass
366.204648
InChI
InChI=1S/C19H34O3Si2/c1-18(2,3)23(7,8)21-16-12-11-15(14-20)13-17(16)22-24(9,10)19(4,5)6/h11-14H,1-10H3
InChIKey
OTENVZJLWMQSAT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
107.48
TPSA
35.53

LogP / Solubility

WLOGP
6.27
MLOGP
5.54
XLogP3
6.27
Consensus LogP
6.03
Log S (ESOL)
-5.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.84
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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