CAS 773139-40-5 Ethyl 4-Bromo-2,3,6-trifluorobenzoate molecular structure

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CAS RN: 773139-40-5

Ethyl 4-Bromo-2,3,6-trifluorobenzoate

Product code: SSC-186841

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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, 0.25g, 0.1g
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 773139-40-5
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥95%	5 In Stock	Shanghai	Inquiry
5g	≥95%	5 In Stock	Beijing	Inquiry
0.25g	≥95%	3 In Stock	Hong Kong	Inquiry
0.1g	≥95%	0 Out of Stock	Hong Kong	Inquiry

773139-40-5 / ethyl 4-bromo-2,3,6-trifluorobenzoate

Standard CAS: 773139-40-5 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

773139-40-5

Multi CAS

Molecular Formula

BC9H6O2Rf3

Molecular Weight

283.040000

Exact Mass

281.950330

InChI

InChI=1S/C9H6BrF3O2/c1-2-15-9(14)6-5(11)3-4(10)7(12)8(6)13/h3H,2H2,1H3

InChIKey

RFKJIIUJJBBPFC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.22

Rotatable bonds

H-bond acceptors

Molar refractivity

49.97

TPSA

26.3

LogP / Solubility

WLOGP

3.04

MLOGP

2.69

XLogP3

3.1

Consensus LogP

2.94

Log S (ESOL)

-3.68

Class (ESOL)

Poorly soluble

Log S (Ali)

-4.08

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-4.27

Class (SILICOS-IT)

Slightly 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)

-2.29

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Yes

Synthetic Accessibility

1.5

Applications of CAS 773139-40-5

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 773139-40-5 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.