CAS 1785259-87-1 5-Amino-2-fluoro-4-methoxy-benzoic acid methyl ester molecular structure

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CAS RN: 1785259-87-1

5-Amino-2-fluoro-4-methoxy-benzoic acid methyl ester

Product code: SSC-079366

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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, 5g
Available purity: ≥95%
Inventory rows with stock: 4
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 1785259-87-1
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.1g	≥95%	5 In Stock	Shanghai	Inquiry
0.25g	≥95%	5 In Stock	Hong Kong	Inquiry
1g	≥95%	5 In Stock	Shanghai	Inquiry
5g	≥95%	1 In Stock	Beijing	Inquiry

1785259-87-1 / methyl 5-amino-2-fluoro-4-methoxybenzoate

Standard CAS: 1785259-87-1 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

1785259-87-1

Multi CAS

Molecular Formula

C9H10FNO3

Molecular Weight

199.180000

Exact Mass

199.064471

SMILES

COC1=C(C=C(C(=C1)F)C(=O)OC)N

InChI

InChI=1S/C9H10FNO3/c1-13-8-4-6(10)5(3-7(8)11)9(12)14-2/h3-4H,11H2,1-2H3

InChIKey

XVFAPKGBFVJVHV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.22

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

48.7

TPSA

61.55

LogP / Solubility

WLOGP

1.2

MLOGP

1.06

XLogP3

1.2

Consensus LogP

1.15

Log S (ESOL)

-2.02

Class (ESOL)

Moderately soluble

Log S (Ali)

-2.06

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-2.19

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)

-3.08

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 1785259-87-1

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 1785259-87-1 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.