CAS 785051-41-4 1-Pyrrolidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester, (3R)- molecular structure

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CAS RN: 785051-41-4

1-Pyrrolidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester, (3R)-

Product Availability

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1 package records0 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Lead Time	Inquiry
Batchno.20250818	1g	Out of stock	15 business days	Inquiry

Product code: SSC-187895

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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, 5g, 0.25g, 1g
Available purity: ≥95%
Inventory rows with stock: 2
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 785051-41-4
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.1g	≥95%	1 In Stock	Shenzhen	Inquiry
5g	≥95%	1 In Stock	Hong Kong	Inquiry
0.25g	≥95%	0 Out of Stock	Hong Kong	Inquiry
1g	≥95%	0 Out of Stock	Shenzhen	Inquiry

785051-41-4 / tert-butyl 3-ethynylpyrrolidine-1-carboxylate

Standard CAS: 785051-41-4 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

785051-41-4

Multi CAS

Yes

Molecular Formula

C11H17NO2

Molecular Weight

195.260000

Exact Mass

195.125929

InChI

InChI=1S/C11H17NO2/c1-5-9-6-7-12(8-9)10(13)14-11(2,3)4/h1,9H,6-8H2,2-4H3/t9-/m0/s1

InChIKey

KTDGOUSDBBFBRO-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count

Fraction Csp3

0.73

Rotatable bonds

H-bond acceptors

Molar refractivity

54.75

TPSA

29.54

LogP / Solubility

WLOGP

1.88

MLOGP

1.65

XLogP3

1.6

Consensus LogP

1.71

Log S (ESOL)

-2.23

Class (ESOL)

Moderately soluble

Log S (Ali)

-2.52

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-2.49

Class (SILICOS-IT)

Moderately soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.58

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

Applications of CAS 785051-41-4

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 785051-41-4 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.