CAS 1493800-02-4 6-Benzyloxy-5-bromopyridine-2-carboxylic acid methyl ester molecular structure

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CAS RN: 1493800-02-4

6-Benzyloxy-5-bromopyridine-2-carboxylic acid methyl ester

Product code: SSC-059409

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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, 10g, 25g, 5g
Available purity: ≥95%
Inventory rows with stock: 6
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 1493800-02-4
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.1g	≥95%	2 In Stock	Hong Kong	Inquiry
0.25g	≥95%	2 In Stock	Shenzhen	Inquiry
1g	≥95%	2 In Stock	Hong Kong	Inquiry
10g	≥95%	2 In Stock	Shanghai	Inquiry
25g	≥95%	2 In Stock	Shanghai	Inquiry
5g	≥95%	1 In Stock	Shenzhen	Inquiry

1493800-02-4 / methyl 5-bromo-6-phenylmethoxypyridine-2-carboxylate

Standard CAS: 1493800-02-4 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

1493800-02-4

Multi CAS

Molecular Formula

C14H12BrNO3

Molecular Weight

322.150000

Exact Mass

321.000060

SMILES

COC(=O)C1=NC(=C(C=C1)Br)OCC2=CC=CC=C2

InChI

InChI=1S/C14H12BrNO3/c1-18-14(17)12-8-7-11(15)13(16-12)19-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3

InChIKey

WHHSUAWUCPEFSG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.14

Rotatable bonds

H-bond acceptors

Molar refractivity

74.05

TPSA

48.42

LogP / Solubility

WLOGP

3.21

MLOGP

2.84

XLogP3

3.5

Consensus LogP

3.18

Log S (ESOL)

-4.06

Class (ESOL)

Slightly soluble

Log S (Ali)

-4.52

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-4.9

Class (SILICOS-IT)

Slightly soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

Yes

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.41

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Yes

Synthetic Accessibility

1.5

Applications of CAS 1493800-02-4

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 1493800-02-4 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.