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WAY-325438 - 10mM in DMSO, high purity , CAS No.445239-51-0
Basic Description
Specifications & Purity
10mM in DMSO
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
high inhibition rate against osteoclast formation
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Anilides
Intermediate Tree Nodes
Aromatic anilides - Furanilides
Direct Parent
2-furanilides
Alternative Parents
Phenoxy compounds Phenol ethers 2-heteroaryl carboxamides Furoic acid and derivatives Alkyl aryl ethers Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-furanilide - 2-heteroaryl carboxamide - Furoic acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Furan - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Ether - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-furanilides. These are aromatic heterocyclic compounds contaning a furan ring that is substituted at the 2-position with an anilide.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Product Properties
ALogP
4.524
HBD Count
1
Rotatable Bond
5
Names and Identifiers
IUPAC Name
5-[(4-chlorophenoxy)methyl]-N-(2-fluorophenyl)furan-2-carboxamide
INCHI
InChI=1S/C18H13ClFNO3/c19-12-5-7-13(8-6-12)23-11-14-9-10-17(24-14)18(22)21-16-4-2-1-3-15(16)20/h1-10H,11H2,(H,21,22)
InChIKey
WWOCPTXYPHWAJY-UHFFFAOYSA-N
Smiles
C1=CC=C(C(=C1)NC(=O)C2=CC=C(O2)COC3=CC=C(C=C3)Cl)F
Isomeric SMILES
C1=CC=C(C(=C1)NC(=O)C2=CC=C(O2)COC3=CC=C(C=C3)Cl)F
PubChem CID
717221
Molecular Weight
345.75
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
DMSO(mM) Max Solubility
10
Molecular Weight
345.700 g/mol
XLogP3
4.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
5
Exact Mass
345.057 Da
Monoisotopic Mass
345.057 Da
Topological Polar Surface Area
51.500 Ų
Heavy Atom Count
24
Formal Charge
0
Complexity
417.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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