CAS 1704069-33-9 (3-(4-(tert-butoxycarbonyl)piperazin-1-yl)-5-(trifluoroMethyl)phenyl)boronic acid molecular structure

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CAS RN: 1704069-33-9

(3-(4-(tert-butoxycarbonyl)piperazin-1-yl)-5-(trifluoroMethyl)phenyl)boronic acid

Product code: SSC-074966

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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
Available purity: >95%
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 1704069-33-9
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.1g	>95%	2 In Stock	Shanghai	Inquiry
0.25g	>95%	2 In Stock	Shenzhen	Inquiry
1g	>95%	2 In Stock	Beijing	Inquiry

1704069-33-9 / [3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]boronic acid

Standard CAS: 1704069-33-9 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

1704069-33-9

Multi CAS

Molecular Formula

C16H22BF3N2O4

Molecular Weight

374.200000

Exact Mass

374.162472

SMILES

B(C1=CC(=CC(=C1)N2CCN(CC2)C(=O)OC(C)(C)C)C(F)(F)F)(O)O

InChI

InChI=1S/C16H22BF3N2O4/c1-15(2,3)26-14(23)22-6-4-21(5-7-22)13-9-11(16(18,19)20)8-12(10-13)17(24)25/h8-10,24-25H,4-7H2,1-3H3

InChIKey

KJSVVMOFXYLTGA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.56

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

91.29

TPSA

73.24

LogP / Solubility

WLOGP

1.44

MLOGP

1.29

XLogP3

1.44

Consensus LogP

1.39

Log S (ESOL)

-3.11

Class (ESOL)

Poorly soluble

Log S (Ali)

-3.67

Class (Ali)

Poorly soluble

Log S (SILICOS-IT)

-3.53

Class (SILICOS-IT)

Poorly soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Log Kp (skin permeation)

-3.98

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

2.5

Applications of CAS 1704069-33-9

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 1704069-33-9 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.