Active Chemical RecordCatalog PreviewCatalog ready

2-amino-4-(3,4-difluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile

CAS 354556-12-0Formula C16H10F2N2O3MW 316.26PubChem 2838859

This compound is a complex organic molecule featuring a pyranopyran core, substituted with an amino group, a carbonitrile, a methyl group, and a 3,4-difluorophenyl moiety. It is classified as a research-oriented/research-oriented compound, making it of interest for various research applications in medicinal chemistry and drug discovery. Intended for Research Use Only.

Loading RDKit molecule structure...
InChIKey: ZNANXBILPQPJEF-UHFFFAOYSA-NC16H10F2N2O3 | MW 316.26

Chemical Identity

Molecular Formula

C16H10F2N2O3

Molecular Weight

316.26 g/mol

Exact Mass

316.065949

PubChem CID

2838859

IUPAC Name

2-amino-4-(3,4-difluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile

SMILES String

Cc1cc2c(c(=O)o1)C(c1ccc(F)c(F)c1)C(C#N)=C(N)O2

Names & Synonyms

2-amino-4-(3,4-difluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[3,2-c]pyran-3-carbonitrileOprea1_192825AM-807/141463422-amino-4-(3,4-difluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonit rile
External Identifiers
AKOS000670140AKOS016340470SS-0747ST071468CS-0332646

Catalog Overview

2-amino-4-(3,4-difluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile is a synthetic organic compound with the molecular formula C16H10F2N2O3 and a molecular weight of 316. 26 g/mol. Its structure incorporates a fused pyranopyran heterocyclic system, which is a common scaffold in biologically active molecules. Key functional groups include an amino group, a carbonitrile group, a methyl group, and a 3,4-difluorophenyl substituent, which introduces fluorine atoms known to influence pharmacokinetic properties.

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow
Read more catalog context

2-amino-4-(3,4-difluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile is a synthetic organic compound with the molecular formula C16H10F2N2O3 and a molecular weight of 316.26 g/mol. Its structure incorporates a fused pyranopyran heterocyclic system, which is a common scaffold in biologically active molecules. Key functional groups include an amino group, a carbonitrile group, a methyl group, and a 3,4-difluorophenyl substituent, which introduces fluorine atoms known to influence pharmacokinetic properties. This compound's classification as research-oriented/research-oriented suggests its potential utility in early-stage drug discovery research, particularly in exploring structure-activity relationships or as a building block for more complex molecular architectures. It is intended for Research Use Only (RUO).

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

180.0 °C

Density

1.4 g/cm³

Water Solubility

Slightly soluble

Flash Point

250.0 °C

Applications / Classifications

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary safety-style information for reference only. Not a supplier SDS.

Handling and Storage
  • Handle with appropriate personal protective equipment (PPE) including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Refer to the Safety Data Sheet (SDS) for comprehensive safety information and emergency procedures. Store in a cool, dry place, away from incompatible materials.

Related Products / Graph Discovery

Related products, derivatives, keywords, and application cues for catalog discovery.

Similar products (text references)

828273-02-5CAS 828273-02-5
1396860-67-5CAS 1396860-67-5
76784-40-2CAS 76784-40-2
2054954-40-2CAS 2054954-40-2
87964-33-8CAS 87964-33-8

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 293499GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

Compliance cues are non-linked reference tags and require shipment review.