CAS 2345-51-9 3-Butynoic Acid molecular structure

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CAS RN: 2345-51-9

3-Butynoic Acid

Product Availability

Choose a grade to view its available package options.

16 package records15 with current stock2 grade groups

Grade In stock only

Batch No.	Package	Availability	Inquiry
Batchno.20250419	100g	Out of stock	Inquiry
Batchno.20250106	1g	In stock	Inquiry
Batchno.20260220	250mg	In stock	Inquiry
Batchno.20251122	25g	In stock	Inquiry
Batchno.20250627	5g	In stock	Inquiry

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20251009	100g	In stock	Shanghai	Inquiry
Batchno.20260423	100mg	In stock	Shanghai, Shenzhen	Inquiry
Batchno.20251020	1g	In stock	Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu	Inquiry
Batchno.20250424	1g	In stock	Shanghai, Shandong, Guangdong, Chongqing, Hebei	Inquiry
Batchno.20250115	250mg	In stock	Shanghai, Shenzhen, Tianjin, Chengdu	Inquiry
Batchno.20260102	250mg	In stock	Shanghai, Shandong, Chongqing	Inquiry
Batchno.20251106	25g	In stock	Shanghai	Inquiry
Batchno.20250128	25g	In stock	Shandong	Inquiry
Batchno.20260404	500g	In stock	Shanghai	Inquiry
Batchno.20260328	5g	In stock	Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu	Inquiry
Batchno.20250814	5g	In stock	Shanghai, Shandong, Hebei	Inquiry

Product code: SSC-113287

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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: 0.25g, 1g, 5g, 10g, 25g, 100g
Available purity: >98%, >97%
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 2345-51-9
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.25g	>98%	5 In Stock	Shanghai	Inquiry
1g	>98%	5 In Stock	Hong Kong	Inquiry
5g	>98%	5 In Stock	Beijing	Inquiry
10g	>98%	5 In Stock	Shanghai	Inquiry
25g	>98%	5 In Stock	Hong Kong	Inquiry
100g	>98%	2 In Stock	Hong Kong	Inquiry
0.25g	>97%	0 Out of Stock	Shenzhen	Inquiry
1g	>97%	0 Out of Stock	Shanghai	Inquiry
5g	>97%	0 Out of Stock	Shenzhen	Inquiry
10g	>97%	0 Out of Stock	Beijing	Inquiry
25g	>97%	0 Out of Stock	Shenzhen	Inquiry
100g	>97%	0 Out of Stock	Beijing	Inquiry

2345-51-9 / but-2-ynoic acid

Standard CAS: 2345-51-9 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

2345-51-9

Multi CAS

Molecular Formula

C4H4O2

Molecular Weight

84.070000

Exact Mass

84.021129

SMILES

CC#CC(=O)O

InChI

InChI=1S/C4H4O2/c1-2-3-4(5)6/h1H,3H2,(H,5,6)

InChIKey

KKAHGSQLSTUDAV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Fraction Csp3

0.25

H-bond acceptors

H-bond donors

Molar refractivity

21.09

TPSA

37.3

LogP / Solubility

WLOGP

0.09

MLOGP

0.07

XLogP3

0.8

Consensus LogP

0.32

Log S (ESOL)

-0.42

Class (ESOL)

Very soluble

Log S (Ali)

-0.32

Class (Ali)

Very soluble

Log S (SILICOS-IT)

-0.28

Class (SILICOS-IT)

Very 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)

-3.17

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

1.5

Applications of CAS 2345-51-9

This compound is commonly used in pharmaceutical research and drug discovery, life science and biochemical research, biochemistry and reagent applications, laboratory reagent and synthesis applications, general chemistry research and laboratory applications. Starshine Chemical supplies CAS 2345-51-9 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Storage & Handling

Storage: Store under inert gas. Avoid: Air 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.