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Compound Fr13264

CAT: 0931-Fr13264-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13264-02Size:2 mg
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CAS Number
153579-79-4
Bioactivity
Compound Fr13264, with CAS No. 153579-79-4, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13264 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
O=C(NCCC1=CC=CC=C1)C1=CC=CO1
Molecular Formula
C13H13NO2
Molecular Weight
215.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-phenethylfuran-2-carboxamide

N-phenethyl-2-furamide is a heteroarene and an aromatic amide.

CAS Number153579-79-4
PubChem CID744466
IUPAC NameN-(2-phenylethyl)furan-2-carboxamide
Molecular FormulaC13H13NO2
Molecular Weight215.25
XLogP2.2
Topological Polar Surface Area42.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity224
SMILES
C1=CC=C(C=C1)CCNC(=O)C2=CC=CO2
InChI
InChI=1S/C13H13NO2/c15-13(12-7-4-10-16-12)14-9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H,14,15)
InChIKey
JXBQSQNRBAFMRW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-phenethylfuran-2-carboxamide
CAS: 153579-79-4
CID: 744466
Formula: C13H13NO2
MW: 215.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight215.25
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass215.094628657
Monoisotopic Mass215.094628657
Topological Polar Surface Area42.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity224
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
Fr13294-01Compound Fr13294
Fr13261-01Compound Fr13261
Fr13164-01Compound Fr13164
Fr13260-01Compound Fr13260
Fr13274-01Compound Fr13274
Fr13224-01Compound Fr13224
Fr13265-01Compound Fr13265
Fr13267-01Compound Fr13267
Fr13214-01Compound Fr13214
Fr13204-01Compound Fr13204

Alternative Products

CatalogName
ALX-550-516-M025Compound A
C8444-50Compound C108
C5824-10GPR120 Compound A
A8197-5.1Compound 56
B7337-5Compound 401
XXC35825-01Compound 3a
HY-14176-01Compound E
HY-U00358Compound 2
1898-200Compound 34
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