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CAS 4612-28-6 1,3-Benzenediboronic acid molecular structure lightbox
CAS RN: 4612-28-6

1,3-Benzenediboronic acid

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260117 1g In stock Inquiry
Batchno.20260327 25g Out of stock Inquiry
Batchno.20251127 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250803 1g In stock Shanghai, Shandong, Chongqing, Hebei Inquiry
Batchno.20260407 25g In stock Shanghai, Chongqing Inquiry
Batchno.20250419 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-153680
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.25g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 4612-28-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 1 In Stock Beijing Inquiry
0.25g ≥97% 0 Out of Stock Hong Kong Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

4612-28-6 / (3-boronophenyl)boronic acid

Standard CAS: 4612-28-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4612-28-6
Multi CAS
Yes
Molecular Formula
B2C6H8O4
Molecular Weight
165.750000
Exact Mass
166.060869
InChI
InChI=1S/C6H8B2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-12H
InChIKey
UXPAASVRXBULRG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
4
Molar refractivity
46.09
TPSA
80.92

LogP / Solubility

WLOGP
-2.95
MLOGP
-2.6
XLogP3
-2.95
Consensus LogP
-2.83
Log S (ESOL)
0.76
Class (ESOL)
Highly soluble
Log S (Ali)
1.21
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.47
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-5.83

Drug-likeness / Medicinal Chemistry

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

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