CAS 1121596-71-1 tert-butyl4-(3,5-diMethoxyphenyl)piperazine-1-carboxylate molecular structure

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CAS RN: 1121596-71-1

tert-butyl4-(3,5-diMethoxyphenyl)piperazine-1-carboxylate

Product code: SSC-012634

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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, 5g, 10g, 25g
Available purity: >95%
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 1121596-71-1
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.1g	>95%	1 In Stock	Shenzhen	Inquiry
0.25g	>95%	1 In Stock	Beijing	Inquiry
1g	>95%	1 In Stock	Shenzhen	Inquiry
5g	>95%	1 In Stock	Shanghai	Inquiry
10g	>95%	1 In Stock	Shenzhen	Inquiry
25g	>95%	0 Out of Stock	Beijing	Inquiry

1121596-71-1 / tert-butyl 4-(3,5-dimethoxyphenyl)piperazine-1-carboxylate

tert-butyl 4-(3,5-dimethoxyphenyl)piperazine-1-carboxylate | MFCD11872593 | 4-BOC-1-(3,5-DIMETHOXYPHENYL)-PIPERAZINE

Standard CAS: 1121596-71-1 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

1121596-71-1

Multi CAS

Molecular Formula

C17H26N2O4

Molecular Weight

322.400000

Exact Mass

322.189257

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C17H26N2O4/c1-17(2,3)23-16(20)19-8-6-18(7-9-19)13-10-14(21-4)12-15(11-13)22-5/h10-12H,6-9H2,1-5H3

InChIKey

OFZZMVRDEBZUAV-UHFFFAOYSA-N

Synonyms

tert-butyl 4-(3,5-dimethoxyphenyl)piperazine-1-carboxylate MFCD11872593 4-BOC-1-(3,5-DIMETHOXYPHENYL)-PIPERAZINE 1-Boc-4-(3,5-dimethoxyphenyl)piperazine DTXSID70857129

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.59

Rotatable bonds

H-bond acceptors

Molar refractivity

89.57

TPSA

51.24

LogP / Solubility

WLOGP

2.76

MLOGP

2.44

XLogP3

2.6

Consensus LogP

2.6

Log S (ESOL)

-3.57

Class (ESOL)

Poorly soluble

Log S (Ali)

-4.2

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-4.41

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

Log Kp (skin permeation)

-2.73

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Yes

Synthetic Accessibility

2.5

Applications of CAS 1121596-71-1

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 1121596-71-1 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.