CAS 1129541-83-8 tert-Butyl 4-(3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine-1-carboxylate molecular structure

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CAS RN: 1129541-83-8

tert-Butyl 4-(3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine-1-carboxylate

Product code: SSC-013215

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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: 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 1129541-83-8
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.1g	--	1 In Stock	Beijing	Inquiry
0.1g	>95%	1 In Stock	Hong Kong	Inquiry
0.25g	--	1 In Stock	Shanghai	Inquiry
0.25g	>95%	1 In Stock	Beijing	Inquiry
1g	--	1 In Stock	Beijing	Inquiry
1g	>95%	1 In Stock	Hong Kong	Inquiry

1129541-83-8 / tert-butyl 4-[3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxylate

tert-butyl 4-(3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine-1-carboxylate | MFCD29112194 | 1-Piperazinecarboxylicacid,4-[3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-,1,1-dimethylethylester

Standard CAS: 1129541-83-8 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

1129541-83-8

Multi CAS

Molecular Formula

C21H32BFN2O4

Molecular Weight

406.300000

Exact Mass

406.243916

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)F)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H32BFN2O4/c1-19(2,3)27-18(26)25-10-8-24(9-11-25)17-13-15(12-16(23)14-17)22-28-20(4,5)21(6,7)29-22/h12-14H,8-11H2,1-7H3

InChIKey

UONPKYULBOGWAV-UHFFFAOYSA-N

Synonyms

tert-butyl 4-(3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine-1-carboxylate MFCD29112194 1-Piperazinecarboxylicacid,4-[3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-,1,1-dimethylethylester 3-(4-Boc-1-piperazinyl)-5-fluorophenylboronic Acid Pinacol Ester SCHEMBL3758659

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.67

Rotatable bonds

H-bond acceptors

Molar refractivity

112.14

TPSA

51.24

LogP / Solubility

WLOGP

3.18

MLOGP

2.82

XLogP3

3.18

Consensus LogP

3.06

Log S (ESOL)

-4.38

Class (ESOL)

Slightly soluble

Log S (Ali)

-5.19

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-5.18

Class (SILICOS-IT)

Slightly soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

Yes

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

-2.94

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 1129541-83-8

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 1129541-83-8 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.