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CAS 654664-63-8 B-2-Triphenylenylboronic acid molecular structure lightbox
CAS RN: 654664-63-8

B-2-Triphenylenylboronic acid

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251205 10g In stock Shanghai, Tianjin Inquiry
Batchno.20250828 1g In stock Shandong, Guangdong Inquiry
Batchno.20260628 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20251124 250mg In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20260101 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250319 25g In stock Shanghai Inquiry
Batchno.20260115 5g In stock Guangdong Inquiry
Batchno.20260519 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-175123
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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: 5g
  • 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 654664-63-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

654664-63-8 / triphenylen-2-ylboronic acid

Standard CAS: 654664-63-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
654664-63-8
Multi CAS
No
Molecular Formula
BC18H13O2
Molecular Weight
272.100000
Exact Mass
272.100860
InChI
InChI=1S/C18H13BO2/c20-19(21)12-9-10-17-15-7-2-1-5-13(15)14-6-3-4-8-16(14)18(17)11-12/h1-11,20-21H
InChIKey
PXFBSZZEOWJJNL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
18
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
88.79
TPSA
40.46

LogP / Solubility

WLOGP
2.83
MLOGP
2.5
XLogP3
2.83
Consensus LogP
2.72
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly 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)
-2.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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