CAS 1451391-46-0 3-(HydroxyMethyl)-5-Methylphenylboronic Acid molecular structure

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CAS RN: 1451391-46-0

3-(HydroxyMethyl)-5-Methylphenylboronic Acid

Product code: SSC-056529

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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, 0.1g, 0.25g
Available purity: >95%
Inventory rows with stock: 6
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 1451391-46-0
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	--	5 In Stock	Shanghai	Inquiry
1g	>95%	5 In Stock	Beijing	Inquiry
0.1g	--	2 In Stock	Shanghai	Inquiry
0.1g	>95%	2 In Stock	Beijing	Inquiry
0.25g	--	2 In Stock	Shenzhen	Inquiry
0.25g	>95%	2 In Stock	Shanghai	Inquiry

1451391-46-0 / [3-(hydroxymethyl)-5-methylphenyl]boronic acid

Standard CAS: 1451391-46-0 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

1451391-46-0

Multi CAS

Molecular Formula

C8H11BO3

Molecular Weight

165.980000

Exact Mass

166.080124

SMILES

B(C1=CC(=CC(=C1)CO)C)(O)O

InChI

InChI=1S/C8H11BO3/c1-6-2-7(5-10)4-8(3-6)9(11)12/h2-4,10-12H,5H2,1H3

InChIKey

XAHBYOREXCQDRQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.25

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

46.93

TPSA

60.69

LogP / Solubility

WLOGP

-0.83

MLOGP

-0.74

XLogP3

-0.83

Consensus LogP

-0.8

Log S (ESOL)

-0.58

Class (ESOL)

Very soluble

Log S (Ali)

-0.32

Class (Ali)

Very soluble

Log S (SILICOS-IT)

-0.29

Class (SILICOS-IT)

Very soluble

ADME

GI absorption

Low

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-4.32

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

1.5

Applications of CAS 1451391-46-0

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 1451391-46-0 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Storage & Handling

Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.