CAS 52798-09-1 (4-CARBAMIMIDOYL-PHENYL)-ACETIC ACID HYDROCHLORIDE molecular structure

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CAS RN: 52798-09-1

(4-CARBAMIMIDOYL-PHENYL)-ACETIC ACID HYDROCHLORIDE

Product code: SSC-159931

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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, 0.1g, 0.25g
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 52798-09-1
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥95%	5 In Stock	Shenzhen	Inquiry
0.1g	≥95%	1 In Stock	Shanghai	Inquiry
0.25g	≥95%	0 Out of Stock	Beijing	Inquiry

52798-09-1 / 2-(4-carbamimidoylphenyl)acetic acid;hydrochloride

Standard CAS: 52798-09-1 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

52798-09-1

Multi CAS

Yes

Molecular Formula

C9H11CLN2O2

Molecular Weight

214.650000

Exact Mass

214.050905

InChI

InChI=1S/C9H10N2O2.ClH/c10-9(11)7-3-1-6(2-4-7)5-8(12)13;/h1-4H,5H2,(H3,10,11)(H,12,13);1H

InChIKey

FVNZSYXKUMKULD-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

56.05

TPSA

87.17

LogP / Solubility

WLOGP

1.02

MLOGP

0.9

XLogP3

1.02

Consensus LogP

0.98

Log S (ESOL)

-1.93

Class (ESOL)

Soluble

Log S (Ali)

-2.06

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-2.26

Class (SILICOS-IT)

Moderately soluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-3.31

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

1.5

Applications of CAS 52798-09-1

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 52798-09-1 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.