CAS 1141669-53-5 3-Bromo-4-(1H-imidazol-1-yl)benzoic Acid molecular structure

lightbox

CAS RN: 1141669-53-5

3-Bromo-4-(1H-imidazol-1-yl)benzoic Acid

Product code: SSC-014034

GET A QUOTE

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, 5g, 1g
Available purity: >97%
Inventory rows with stock: 4
Bulk packaging: confirmed by inquiry

Request Bulk Quote

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 1141669-53-5
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.1g	>97%	5 In Stock	Shanghai	Inquiry
0.25g	>97%	5 In Stock	Shanghai	Inquiry
5g	>97%	5 In Stock	Hong Kong	Inquiry
1g	>97%	3 In Stock	Beijing	Inquiry

1141669-53-5 / 3-bromo-4-imidazol-1-ylbenzoic acid

Benzoic acid, 3-bromo-4-(1H-imidazol-1-yl)- | RefChem:1079074 | 3-BROMO-4-(1H-IMIDAZOL-1-YL)BENZOIC ACID

Standard CAS: 1141669-53-5 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

1141669-53-5

Multi CAS

Molecular Formula

C10H7BrN2O2

Molecular Weight

267.080000

Exact Mass

265.969090

SMILES

C1=CC(=C(C=C1C(=O)O)Br)N2C=CN=C2

InChI

InChI=1S/C10H7BrN2O2/c11-8-5-7(10(14)15)1-2-9(8)13-4-3-12-6-13/h1-6H,(H,14,15)

InChIKey

DPGOYWGOSVWTDZ-UHFFFAOYSA-N

Synonyms

Benzoic acid, 3-bromo-4-(1H-imidazol-1-yl)- RefChem:1079074 3-BROMO-4-(1H-IMIDAZOL-1-YL)BENZOIC ACID 3-Bromo-4-(1-imidazolyl)benzoic Acid MFCD11656807

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

58.22

TPSA

55.12

LogP / Solubility

WLOGP

2.33

MLOGP

2.06

XLogP3

1.9

Consensus LogP

2.1

Log S (ESOL)

-3.38

Class (ESOL)

Poorly soluble

Log S (Ali)

-3.43

Class (Ali)

Poorly soluble

Log S (SILICOS-IT)

-3.57

Class (SILICOS-IT)

Poorly soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.69

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Yes

Synthetic Accessibility

1.5

Applications of CAS 1141669-53-5

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 1141669-53-5 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.