CAS 137076-54-1 Tri-tert-butyl 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetate molecular structure

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CAS RN: 137076-54-1

Tri-tert-butyl 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetate

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9 package records9 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20251124	100g	In stock	Shanghai, Wuhan	Inquiry
Batchno.20250224	100mg	In stock	Shanghai	Inquiry
Batchno.20260409	10g	In stock	Shanghai, Shenzhen, Tianjin	Inquiry
Batchno.20251011	1g	In stock	Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu	Inquiry
Batchno.20250209	1kg	In stock	Shanghai	Inquiry
Batchno.20260425	250mg	In stock	Shanghai, Tianjin	Inquiry
Batchno.20250525	25g	In stock	Shanghai, Shenzhen, Tianjin, Wuhan	Inquiry
Batchno.20260322	500g	In stock	Shanghai	Inquiry
Batchno.20250402	5g	In stock	Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu	Inquiry

Product code: SSC-046616

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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, 0.25g, 500g
Available purity: >97%
Inventory rows with stock: 7
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 137076-54-1
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	>97%	5 In Stock	Shenzhen	Inquiry
5g	>97%	5 In Stock	Shanghai	Inquiry
10g	>97%	5 In Stock	Shanghai	Inquiry
25g	>97%	5 In Stock	Hong Kong	Inquiry
100g	>97%	5 In Stock	Shenzhen	Inquiry
0.25g	>97%	2 In Stock	Shenzhen	Inquiry
500g	>97%	1 In Stock	Hong Kong	Inquiry

137076-54-1 / 2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid

Standard CAS: 137076-54-1 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

137076-54-1

Multi CAS

Molecular Formula

C28H52N4O8

Molecular Weight

572.700000

Exact Mass

572.378515

SMILES

CC(C)(C)OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)O

InChI

InChI=1S/C28H52N4O8/c1-26(2,3)38-23(35)19-30-12-10-29(18-22(33)34)11-13-31(20-24(36)39-27(4,5)6)15-17-32(16-14-30)21-25(37)40-28(7,8)9/h10-21H2,1-9H3,(H,33,34)

InChIKey

RVUXZXMKYMSWOM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Fraction Csp3

0.86

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

150.93

TPSA

129.16

LogP / Solubility

WLOGP

1.32

MLOGP

1.2

XLogP3

0.2

Consensus LogP

0.91

Log S (ESOL)

-3.69

Class (ESOL)

Poorly soluble

Log S (Ali)

-5.21

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-5.44

Class (SILICOS-IT)

Slightly soluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Log Kp (skin permeation)

-5.28

Drug-likeness / Medicinal Chemistry

Lipinski

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.56

Brenk alerts

Leadlikeness

Synthetic Accessibility

5.5

Safety & Transport

Pictogram(s)

Irritant

Signal

Warning

GHS Hazard Statements

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statement Codes

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Applications of CAS 137076-54-1

This compound is commonly used in catalysis and inorganic chemistry research, pharmaceutical research and drug discovery, life science and biochemical research, materials science and advanced materials development, organic synthesis and chemical building blocks, laboratory reagent and synthesis applications, general chemistry research and laboratory applications. Starshine Chemical supplies CAS 137076-54-1 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Physical & Chemical Properties

IUPAC Name

2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid

Safety Information (GHS)

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

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary statements: P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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: Store under inert gas. Avoid: Moisture Sensitive,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.