CAS 5462-71-5 4-CYANOPHENYLACETIC ACID molecular structure

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CAS RN: 5462-71-5

4-CYANOPHENYLACETIC ACID

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock2 grade groups

Grade In stock only

Batch No.	Package	Availability	Warehouse	Lead Time	Inquiry
Batchno.20260613	1g / 5g / 25g / 100g	Confirm by inquiry	Shanghai, Shandong	30 business days	Inquiry

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20260408	100g	In stock	Shanghai, Wuhan	Inquiry
Batchno.20251127	10g	In stock	Shanghai, Shenzhen	Inquiry
Batchno.20250525	1g	In stock	Shanghai, Shenzhen, Tianjin, Wuhan	Inquiry
Batchno.20260602	250mg	In stock	Shanghai, Shenzhen	Inquiry
Batchno.20250312	25g	In stock	Shanghai	Inquiry
Batchno.20251123	5g	In stock	Shanghai, Shenzhen, Tianjin, Wuhan	Inquiry

Product code: SSC-162364

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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, 100g, 25g, 0.25g, 500g
Available purity: >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 5462-71-5
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	>97%	5 In Stock	Shanghai	Inquiry
5g	>97%	5 In Stock	Shenzhen	Inquiry
10g	>97%	5 In Stock	Shenzhen	Inquiry
100g	>97%	4 In Stock	Beijing	Inquiry
25g	>97%	3 In Stock	Beijing	Inquiry
0.25g	>97%	2 In Stock	Shenzhen	Inquiry
500g	>97%	0 Out of Stock	Shanghai	Inquiry

5462-71-5 / 2-(4-cyanophenyl)acetic acid

Standard CAS: 5462-71-5 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

5462-71-5

Multi CAS

Yes

Molecular Formula

C9H7NO2

Molecular Weight

161.160000

Exact Mass

161.047678

InChI

InChI=1S/C9H7NO2/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4H,5H2,(H,11,12)

InChIKey

WEBXRQONNWEETE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.11

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

42.5

TPSA

61.09

LogP / Solubility

WLOGP

1.19

MLOGP

1.04

XLogP3

1.3

Consensus LogP

1.18

Log S (ESOL)

-1.82

Class (ESOL)

Soluble

Log S (Ali)

-1.74

Class (Ali)

Soluble

Log S (SILICOS-IT)

-1.93

Class (SILICOS-IT)

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)

-2.86

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

Applications of CAS 5462-71-5

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 5462-71-5 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.