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CAS 754226-40-9 4-BENZYLOXYPHENYLBORONIC ACID, PINACOL ESTER molecular structure lightbox
CAS RN: 754226-40-9

4-BENZYLOXYPHENYLBORONIC ACID, PINACOL ESTER

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251230 10g Out of stock Inquiry
Batchno.20250920 1g In stock Inquiry
Batchno.20250629 250mg In stock Inquiry
Batchno.20250213 5g In stock Inquiry
  • Product code: SSC-184891
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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, 5g, 10g, 25g
  • Available purity: ≥98%
  • Inventory rows with stock: 2
  • 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 754226-40-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Hong Kong Inquiry
5g ≥98% 2 In Stock Shenzhen Inquiry
10g ≥98% 0 Out of Stock Hong Kong Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry

754226-40-9 / 4,4,5,5-tetramethyl-2-(4-phenylmethoxyphenyl)-1,3,2-dioxaborolane

Standard CAS: 754226-40-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
754226-40-9
Multi CAS
Yes
Molecular Formula
BC19H23O3
Molecular Weight
310.200000
Exact Mass
310.174025
InChI
InChI=1S/C19H23BO3/c1-18(2)19(3,4)23-20(22-18)16-10-12-17(13-11-16)21-14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3
InChIKey
KMKOKPUXZWBMEI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
92.93
TPSA
27.69

LogP / Solubility

WLOGP
3.56
MLOGP
3.15
XLogP3
3.56
Consensus LogP
3.42
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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