CAS 57381-59-6 Methyl 5-broMo-2-fluorobenzoate molecular structure

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CAS RN: 57381-59-6

Methyl 5-broMo-2-fluorobenzoate

Product code: SSC-165524

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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, 5g, 10g, 25g, 100g, 500g
Available purity: ≥98%
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 57381-59-6
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥98%	5 In Stock	Shanghai	Inquiry
5g	≥98%	1 In Stock	Beijing	Inquiry
10g	≥98%	0 Out of Stock	Hong Kong	Inquiry
25g	≥98%	0 Out of Stock	Hong Kong	Inquiry
100g	≥98%	0 Out of Stock	Beijing	Inquiry
500g	≥98%	0 Out of Stock	Hong Kong	Inquiry

57381-59-6 / methyl 5-bromo-2-fluorobenzoate

Standard CAS: 57381-59-6 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

57381-59-6

Multi CAS

Molecular Formula

BC8H6O2Rf

Molecular Weight

233.030000

Exact Mass

231.953520

InChI

InChI=1S/C8H6BrFO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3

InChIKey

DXOPSTSVRPCTOS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.12

Rotatable bonds

H-bond acceptors

Molar refractivity

45.44

TPSA

26.3

LogP / Solubility

WLOGP

2.37

MLOGP

2.09

XLogP3

2.5

Consensus LogP

2.32

Log S (ESOL)

-3.08

Class (ESOL)

Poorly soluble

Log S (Ali)

-3.19

Class (Ali)

Poorly soluble

Log S (SILICOS-IT)

-3.27

Class (SILICOS-IT)

Poorly 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)

-2.46

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

Applications of CAS 57381-59-6

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 57381-59-6 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.