CAS 13959-01-8 ETHYL 3-BROMOPYRIDINE-4-CARBOXYLATE molecular structure

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CAS RN: 13959-01-8

ETHYL 3-BROMOPYRIDINE-4-CARBOXYLATE

Product code: SSC-050205

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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, 10g, 25g
Available purity: >98%
Inventory rows with stock: 5
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 13959-01-8
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.1g	>98%	1 In Stock	Beijing	Inquiry
0.25g	>98%	1 In Stock	Shenzhen	Inquiry
1g	>98%	1 In Stock	Hong Kong	Inquiry
5g	>98%	1 In Stock	Beijing	Inquiry
10g	>98%	1 In Stock	Hong Kong	Inquiry
25g	>98%	0 Out of Stock	Shanghai	Inquiry

13959-01-8 / ethyl 3-bromopyridine-4-carboxylate

Standard CAS: 13959-01-8 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

13959-01-8

Multi CAS

Molecular Formula

C8H8BrNO2

Molecular Weight

230.060000

Exact Mass

228.973840

SMILES

CCOC(=O)C1=C(C=NC=C1)Br

InChI

InChI=1S/C8H8BrNO2/c1-2-12-8(11)6-3-4-10-5-7(6)9/h3-5H,2H2,1H3

InChIKey

KAJIRIIDTCRPKH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.25

Rotatable bonds

H-bond acceptors

Molar refractivity

47.89

TPSA

39.19

LogP / Solubility

WLOGP

2.02

MLOGP

1.78

XLogP3

1.8

Consensus LogP

1.87

Log S (ESOL)

-2.78

Class (ESOL)

Moderately soluble

Log S (Ali)

-2.91

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-3.07

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)

-2.69

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 13959-01-8

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 13959-01-8 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.