CAS 11041-94-4 HigenaMine Hydrochloride molecular structure

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CAS RN: 11041-94-4

HigenaMine Hydrochloride

Product code: SSC-011498

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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: 10g, 100g, 5g, 1g, 25g
Available purity: ≥98%
Inventory rows with stock: 4
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 11041-94-4
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
10g	≥98%	5 In Stock	Shenzhen	Inquiry
100g	≥98%	5 In Stock	Beijing	Inquiry
5g	≥98%	2 In Stock	Hong Kong	Inquiry
1g	≥98%	1 In Stock	Shenzhen	Inquiry
25g	≥98%	0 Out of Stock	Shenzhen	Inquiry

11041-94-4 / 1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrochloride

Higenamine hydrochloride | PQ432PID6E | (+-)-Demethylcoclaurine hydrochloride

Standard CAS: 11041-94-4 Multi CAS: Yes

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

11041-94-4

Multi CAS

Yes

Molecular Formula

C16H18ClNO3

Molecular Weight

307.770000

Exact Mass

307.097521

SMILES

C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC=C(C=C3)O.Cl

InChI

InChI=1S/C16H17NO3.ClH/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14;/h1-4,8-9,14,17-20H,5-7H2;1H

InChIKey

SWWQQSDRUYSMAR-UHFFFAOYSA-N

Synonyms

Higenamine hydrochloride PQ432PID6E (+-)-Demethylcoclaurine hydrochloride 1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride (+-)-1,2,3,4-Tetrahydro-1-((4-hydroxyphenyl)methyl)-6,7-isoquinolinediol hydrochloride

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.25

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

83.28

TPSA

72.72

LogP / Solubility

WLOGP

2.65

MLOGP

2.35

XLogP3

2.65

Consensus LogP

2.55

Log S (ESOL)

-3.71

Class (ESOL)

Poorly soluble

Log S (Ali)

-4

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-4.1

Class (SILICOS-IT)

Slightly soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

Yes

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.71

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

PAINS alerts

Brenk alerts

Leadlikeness

Yes

Synthetic Accessibility

Safety & Transport

Pictogram(s)

Irritant Environmental Hazard

Signal

Warning

GHS Hazard Statements

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H410 (97.4%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Precautionary Statement Codes

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501

Applications of CAS 11041-94-4

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 11041-94-4 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.