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CAS 630127-51-4 (4-((Trimethylsilyl)ethynyl)phenyl)boronic acid molecular structure lightbox
CAS RN: 630127-51-4

(4-((Trimethylsilyl)ethynyl)phenyl)boronic acid

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250705 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260405 1g In stock Shanghai Inquiry
Batchno.20260410 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250318 5g Out of stock Inquiry
  • Product code: SSC-172511
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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: 0.25g
  • 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 630127-51-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry

630127-51-4 / [4-(2-trimethylsilylethynyl)phenyl]boronic acid

Standard CAS: 630127-51-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
630127-51-4
Multi CAS
No
Molecular Formula
BC11H15O2Si
Molecular Weight
218.130000
Exact Mass
218.093436
InChI
InChI=1S/C11H15BO2Si/c1-15(2,3)9-8-10-4-6-11(7-5-10)12(13)14/h4-7,13-14H,1-3H3
InChIKey
MZUXXSJYZORMJL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
66.49
TPSA
40.46

LogP / Solubility

WLOGP
0.6
MLOGP
0.53
XLogP3
0.6
Consensus LogP
0.58
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
Class (SILICOS-IT)
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)
-3.63

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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