CAS 13958-91-3 3,5-Dibromopyridine-4-carboxylic acid molecular structure

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CAS RN: 13958-91-3

3,5-Dibromopyridine-4-carboxylic acid

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4 package records2 with current stock2 grade groups

Grade In stock only

Batch No.	Package	Availability	Inquiry
Batchno.20250409	1g	In stock	Inquiry
Batchno.20250620	25g	Out of stock	Inquiry
Batchno.20250201	5g	In stock	Inquiry

Batch No.	Package	Availability	Lead Time	Inquiry
Batchno.20260403	5g / 25g / 100g	Out of stock	8-10 business days	Inquiry

Product code: SSC-050196

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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
Available purity: ≥97%
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 13958-91-3
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥97%	1 In Stock	Beijing	Inquiry
5g	≥97%	0 Out of Stock	Shanghai	Inquiry
10g	≥97%	0 Out of Stock	Beijing	Inquiry
25g	≥97%	0 Out of Stock	Beijing	Inquiry

13958-91-3 / 3,5-dibromopyridine-4-carboxylic acid

Standard CAS: 13958-91-3 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

13958-91-3

Multi CAS

Molecular Formula

C6H3Br2NO2

Molecular Weight

280.900000

Exact Mass

280.851000

SMILES

C1=C(C(=C(C=N1)Br)C(=O)O)Br

InChI

InChI=1S/C6H3Br2NO2/c7-3-1-9-2-4(8)5(3)6(10)11/h1-2H,(H,10,11)

InChIKey

LRKLXFGPVUZEDK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

46.6

TPSA

50.19

LogP / Solubility

WLOGP

2.3

MLOGP

2.04

XLogP3

1.8

Consensus LogP

2.05

Log S (ESOL)

-3.37

Class (ESOL)

Poorly soluble

Log S (Ali)

-3.53

Class (Ali)

Poorly soluble

Log S (SILICOS-IT)

-3.52

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)

-2.8

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Yes

Synthetic Accessibility

1.5

Safety & Transport

Pictogram(s)

Irritant Health Hazard

Signal

Danger

GHS Hazard Statements

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statement Codes

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501

Applications of CAS 13958-91-3

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 13958-91-3 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.