CAS 1804129-02-9 (5-bromo-1H-imidazol-2-yl)methanol molecular structure

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CAS RN: 1804129-02-9

(5-bromo-1H-imidazol-2-yl)methanol

Product code: SSC-081199

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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
Available purity: ≥95%
Inventory rows with stock: 3
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 1804129-02-9
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.1g	≥95%	1 In Stock	Shenzhen	Inquiry
0.25g	≥95%	1 In Stock	Shenzhen	Inquiry
1g	≥95%	1 In Stock	Beijing	Inquiry

1804129-02-9 / (5-bromo-1H-imidazol-2-yl)methanol

Standard CAS: 1804129-02-9 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

1804129-02-9

Multi CAS

Molecular Formula

C4H5BrN2O

Molecular Weight

177.000000

Exact Mass

175.958530

SMILES

C1=C(NC(=N1)CO)Br

InChI

InChI=1S/C4H5BrN2O/c5-3-1-6-4(2-8)7-3/h1,8H,2H2,(H,6,7)

InChIKey

ABAMLDFAOYYEGL-UHFFFAOYSA-N

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

32.21

TPSA

48.91

LogP / Solubility

WLOGP

0.66

MLOGP

0.58

XLogP3

0.2

Consensus LogP

0.48

Log S (ESOL)

-1.75

Class (ESOL)

Soluble

Log S (Ali)

-1.49

Class (Ali)

Soluble

Log S (SILICOS-IT)

-1.48

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)

-3.33

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

Applications of CAS 1804129-02-9

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 1804129-02-9 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.