CAS 552846-17-0 1-(tert-Butoxycarbonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole molecular structure

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CAS RN: 552846-17-0

1-(tert-Butoxycarbonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

Product Availability

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1 package records1 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Warehouse	Lead Time	Inquiry
Batchno.20250119	1g / 5g / 25g / 100g / 500g	Confirm by inquiry	Shanghai, Shandong	5-7 business days	Inquiry

Product code: SSC-163132

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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, 100g, 500g, 1000g
Available purity: >97%
Inventory rows with stock: 5
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 552846-17-0
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	>97%	5 In Stock	Hong Kong	Inquiry
5g	>97%	5 In Stock	Beijing	Inquiry
10g	>97%	5 In Stock	Shanghai	Inquiry
25g	>97%	5 In Stock	Hong Kong	Inquiry
100g	>97%	5 In Stock	Hong Kong	Inquiry
500g	>97%	0 Out of Stock	Shenzhen	Inquiry
1000g	>97%	0 Out of Stock	Shenzhen	Inquiry

552846-17-0 / tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate

Standard CAS: 552846-17-0 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

552846-17-0

Multi CAS

Molecular Formula

BC14H23N2O4

Molecular Weight

294.160000

Exact Mass

294.175087

InChI

InChI=1S/C14H23BN2O4/c1-12(2,3)19-11(18)17-9-10(8-16-17)15-20-13(4,5)14(6,7)21-15/h8-9H,1-7H3

InChIKey

IPISOFJLWYBCAV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.71

Rotatable bonds

H-bond acceptors

Molar refractivity

79.58

TPSA

62.58

LogP / Solubility

WLOGP

1.97

MLOGP

1.74

XLogP3

1.97

Consensus LogP

1.89

Log S (ESOL)

-3.01

Class (ESOL)

Poorly soluble

Log S (Ali)

-3.39

Class (Ali)

Poorly soluble

Log S (SILICOS-IT)

-3.32

Class (SILICOS-IT)

Poorly soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-3.12

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Yes

Synthetic Accessibility

2.5

Applications of CAS 552846-17-0

This compound is commonly used in metal and coordination compound chemistry, laboratory reagent and synthesis applications, general chemistry research and laboratory applications. Starshine Chemical supplies CAS 552846-17-0 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Physical & Chemical Properties

IUPAC Name

tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate

Safety Information (GHS)

Pictogram(s): GHS07. Signal word: Warning.

H302 (37.5%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (87.5%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (87.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]
H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary statements: P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Request the SDS (Safety Data Sheet) for full hazard and safety documentation.

Storage & Handling

Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. Avoid: Heat Sensitive. 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.