CAS 773873-72-6 METHYL 3,4,5-TRIFLUOROBENZENECARBOXYLATE molecular structure

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CAS RN: 773873-72-6

METHYL 3,4,5-TRIFLUOROBENZENECARBOXYLATE

Product code: SSC-186929

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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
Available purity: ≥95%
Inventory rows with stock: 1
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 773873-72-6
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥95%	5 In Stock	Hong Kong	Inquiry
5g	≥95%	0 Out of Stock	Shenzhen	Inquiry
10g	≥95%	0 Out of Stock	Shanghai	Inquiry
25g	≥95%	0 Out of Stock	Shanghai	Inquiry
100g	≥95%	0 Out of Stock	Beijing	Inquiry

773873-72-6 / methyl 3,4,5-trifluorobenzoate

Standard CAS: 773873-72-6 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

773873-72-6

Multi CAS

Yes

Molecular Formula

C8F3H5O2

Molecular Weight

190.120000

Exact Mass

190.024164

InChI

InChI=1S/C8H5F3O2/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3H,1H3

InChIKey

NBBPHMUHCCIOJQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.12

Rotatable bonds

H-bond acceptors

Molar refractivity

37.66

TPSA

26.3

LogP / Solubility

WLOGP

1.89

MLOGP

1.66

XLogP3

2.1

Consensus LogP

1.88

Log S (ESOL)

-2.49

Class (ESOL)

Moderately soluble

Log S (Ali)

-2.48

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-2.58

Class (SILICOS-IT)

Moderately 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)

-2.54

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

1.5

Applications of CAS 773873-72-6

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 773873-72-6 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.