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CAS 756520-72-6 4-(1,1-Dioxido-2-isothiazolidinyl)phenylboronic Acid Pinacol Ester molecular structure lightbox
CAS RN: 756520-72-6

4-(1,1-Dioxido-2-isothiazolidinyl)phenylboronic Acid Pinacol Ester

Product Availability

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251010 100g Out of stock Inquiry
Batchno.20251104 100mg In stock Tianjin Inquiry
Batchno.20251026 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250928 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260512 25g In stock Shenzhen Inquiry
Batchno.20250429 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-185090
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 3
  • 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 756520-72-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 1 In Stock Shanghai Inquiry
0.25g ≥97% 1 In Stock Hong Kong Inquiry
1g ≥97% 1 In Stock Hong Kong Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

756520-72-6 / 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,2-thiazolidine 1,1-dioxide

Standard CAS: 756520-72-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
756520-72-6
Multi CAS
No
Molecular Formula
BC15H22NO4S
Molecular Weight
323.200000
Exact Mass
323.136260
InChI
InChI=1S/C15H22BNO4S/c1-14(2)15(3,4)21-16(20-14)12-6-8-13(9-7-12)17-10-5-11-22(17,18)19/h6-9H,5,10-11H2,1-4H3
InChIKey
PYVUDSAMLHAQCJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
87.91
TPSA
55.84

LogP / Solubility

WLOGP
1.53
MLOGP
1.36
XLogP3
1.53
Consensus LogP
1.47
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.61

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
2.5

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