CAS 42823-73-4 4-aMidinobenzoic acid Methyl ester hydrochloride molecular structure

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CAS RN: 42823-73-4

4-aMidinobenzoic acid Methyl ester hydrochloride

Product code: SSC-151096

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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, 0.25g, 1g, 5g
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 42823-73-4
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.1g	≥95%	1 In Stock	Shanghai	Inquiry
0.25g	≥95%	1 In Stock	Shenzhen	Inquiry
1g	≥95%	0 Out of Stock	Hong Kong	Inquiry
5g	≥95%	0 Out of Stock	Shenzhen	Inquiry

42823-73-4 / methyl 4-carbamimidoylbenzoate;hydrochloride

Standard CAS: 42823-73-4 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

42823-73-4

Multi CAS

Molecular Formula

C9H11CLN2O2

Molecular Weight

214.650000

Exact Mass

214.050905

InChI

InChI=1S/C9H10N2O2.ClH/c1-13-9(12)7-4-2-6(3-5-7)8(10)11;/h2-5H,1H3,(H3,10,11);1H

InChIKey

SANDFJWTZYOLPM-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

76.17

LogP / Solubility

WLOGP

1.18

MLOGP

1.04

XLogP3

1.18

Consensus LogP

1.13

Log S (ESOL)

-2.1

Class (ESOL)

Moderately soluble

Log S (Ali)

-2.17

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-2.27

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)

-3.19

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 42823-73-4

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 42823-73-4 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Physical & Chemical Properties

IUPAC Name

methyl 4-carbamimidoylbenzoate;hydrochloride

Safety Information (GHS)

Pictogram(s): GHS07. Signal word: Warning.

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary statements: P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Request the SDS (Safety Data Sheet) for full hazard and safety documentation.

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.