Research chemical
CAS Number: 354556-12-0
![2-amino-4-(3,4-difluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile molecular structure, CAS 354556-12-0](/structure-images/354556-12-0.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
2838859
Exact Mass
316.065949
InChIKey
ZNANXBILPQPJEF-UHFFFAOYSA-N
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
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2-amino-4-(3,4-difluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile is identified by CAS 354556-12-0, with molecular formula C16H10F2N2O3, molecular weight 316.26, InChIKey ZNANXBILPQPJEF-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
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
Vapor Pressure
Estimated very low; unit not specified
Autoignition Temp
400.0 °C
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
23
H-bond acceptors
5
H-bond donors
2
Rotatable bonds
1
Ring count
3
Aromatic rings
2
Topological polar surface area
89.25 Ų
Computed LogP
2.44
Fragment-like structure rule
No
Lead-like structure rule
Yes
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
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.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
This compound is suitable for research and development purposes, including medicinal chemistry, synthetic organic chemistry, and biochemical assays.
Documentation needs
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.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestCompliance: standard-ruo
Shipment review: Required
Certificate of Analysis (COA): By request
Supplier Safety Data Sheet (SDS): By request
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference
DSL: pending; AICS: pending; ENCS: pending; ICSR: pending; TSCA: pending; IECSC: pending; INSQR: pending; REACH: pending; K-REACH: pending; SEA_Regulatory: pending
Registration values are catalog reference status cues and may require jurisdiction-specific review.
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.