CAS 1442656-30-5 Methyl 3-[Bis[3-(Boc-amino)propyl]amino]propanoate molecular structure

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CAS RN: 1442656-30-5

Methyl 3-[Bis[3-(Boc-amino)propyl]amino]propanoate

Product code: SSC-055465

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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, 0.1g, 0.25g, 25g, 1000g
Available purity: ≥97%
Inventory rows with stock: 12
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 1442656-30-5
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	--	5 In Stock	Shenzhen	Inquiry
1g	≥97%	5 In Stock	Shenzhen	Inquiry
5g	--	5 In Stock	Shenzhen	Inquiry
5g	≥97%	5 In Stock	Hong Kong	Inquiry
10g	--	5 In Stock	Hong Kong	Inquiry
10g	≥97%	5 In Stock	Hong Kong	Inquiry
0.1g	--	3 In Stock	Shenzhen	Inquiry
0.1g	≥97%	3 In Stock	Hong Kong	Inquiry
0.25g	--	3 In Stock	Shanghai	Inquiry
0.25g	≥97%	3 In Stock	Shanghai	Inquiry
25g	--	2 In Stock	Beijing	Inquiry
25g	≥97%	2 In Stock	Hong Kong	Inquiry
1000g	--	0 Out of Stock	Hong Kong	Inquiry

1442656-30-5 / methyl 3-[bis[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]propanoate

Standard CAS: 1442656-30-5 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

1442656-30-5

Multi CAS

Molecular Formula

C20H39N3O6

Molecular Weight

417.500000

Exact Mass

417.283886

SMILES

CC(C)(C)OC(=O)NCCCN(CCCNC(=O)OC(C)(C)C)CCC(=O)OC

InChI

InChI=1S/C20H39N3O6/c1-19(2,3)28-17(25)21-11-8-13-23(15-10-16(24)27-7)14-9-12-22-18(26)29-20(4,5)6/h8-15H2,1-7H3,(H,21,25)(H,22,26)

InChIKey

HMOWUXGUTGEJFZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Fraction Csp3

0.85

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

110.78

TPSA

106.2

LogP / Solubility

WLOGP

2.68

MLOGP

2.39

XLogP3

2.2

Consensus LogP

2.42

Log S (ESOL)

-3.39

Class (ESOL)

Poorly soluble

Log S (Ali)

-4.92

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-5.92

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

Yes

Log Kp (skin permeation)

-3.36

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

2.5

Applications of CAS 1442656-30-5

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 1442656-30-5 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.