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CAS 1150114-54-7 5-(t-Butyldimethylsilyloxy)-2-methoxyphenylboronic molecular structure lightbox
CAS RN: 1150114-54-7

5-(t-Butyldimethylsilyloxy)-2-methoxyphenylboronic

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250923 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-014715
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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 1150114-54-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1150114-54-7 / [5-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]boronic acid

5-(t-Butyldimethylsilyloxy)-2-methoxyphenylboronic acid | MFCD11855847 | [5-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]boronic acid

Standard CAS: 1150114-54-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1150114-54-7
Multi CAS
No
Molecular Formula
C13H23BO4Si
Molecular Weight
282.220000
Exact Mass
282.145866
SMILES
B(C1=C(C=CC(=C1)O[Si](C)(C)C(C)(C)C)OC)(O)O
InChI
InChI=1S/C13H23BO4Si/c1-13(2,3)19(5,6)18-10-7-8-12(17-4)11(9-10)14(15)16/h7-9,15-16H,1-6H3
InChIKey
NCHIYWZIGSNWFK-UHFFFAOYSA-N
Synonyms
5-(t-Butyldimethylsilyloxy)-2-methoxyphenylboronic acid MFCD11855847 [5-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]boronic acid Boronic acid, B-[5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methoxyphenyl]- (5-((tert-Butyldimethylsilyl)oxy)-2-methoxyphenyl)boronic acid

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
80.64
TPSA
58.92

LogP / Solubility

WLOGP
1.76
MLOGP
1.56
XLogP3
1.76
Consensus LogP
1.69
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19

Drug-likeness / Medicinal Chemistry

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

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