Basic information
- CAS
316173-40-7- Standard SMILES
O=C(O)CCCC(=O)Nc1ccc(/C=C/c2ccccc2)cc1- InChIKey
FTXJWRRYLLRFMG-MDZDMXLPSA-N- Molecular formula
- C19H19NO3
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.13649347
Overview
4-(4-styrylphenylcarbamoyl)butyric acid is a dicarboxylic acid monoamide resulting from the formal condensation of one of the carboxyl groups of glutaric acid with the amino group of 4-aminostilbene. It has a role as an epitope. It is a monocarboxylic acid and a dicarboxylic acid monoamide. It is functionally related to a glutaric acid. It derives from a hydride of a stilbene.
Names & identifiers
- Preferred name
- 4-(4-Styrylphenylcarbamoyl)butyric acid
- IUPAC
- 5-oxo-5-[4-[(E)-2-phenylethenyl]anilino]pentanoic acid
- English name
- Pentanoic acid, 5-oxo-5-[[4-[(1E)-2-phenylethenyl]phenyl]amino]-
- Molecular formula
- C19H19NO3
- Molecular weight
- 309.36
Names & synonyms
4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID(E)-4-glutaramidostilbene4-(4-styrylphenylcarbamoyl)butyric acidCHEBI:455735-oxo-5-({4-[(E)-2-phenylethenyl]phenyl}amino)pentanoic acid5-OXO-5-({4-[(E)-2-PHENYLVINYL]PHENYL}AMINO)PENTANOIC ACID5-oxo-5-((4-((E)-2-phenylethenyl)phenyl)amino)pentanoic acid5-oxo-5-((4-((E)-2-phenylvinyl)phenyl)amino)pentanoic acidRefChem:514515trans-Stilbene-NHCO-(CH2)3-acid316173-40-75-oxo-5-[4-[(E)-2-phenylethenyl]anilino]pentanoic acid
Show more names
Pentanoic acid, 5-oxo-5-[[4-[(1E)-2-phenylethenyl]phenyl]amino]-
5-Oxo-5-{4-[(E)-2-phenylethenyl]anilino}pentanoic acid1fl3Epitope ID:161164SCHEMBL6756024FTXJWRRYLLRFMG-MDZDMXLPSA-NDTXSID401181754DB08562DA-78579
Database identifiers
- CAS
316173-40-7
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 405
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 585 · 585.0±39.0 °C(Predicted)
- Density
- 1.238 · 1.238±0.06 g/cm3(Predicted)
- pka
- 4 · 4+-.0.10(Predicted)
Chemistry & industry
Applications
Usestrans-Stilbene-NHCO-(CH2)3-acid, a trans-stilbene hapten, can be used to elicit a panel of monoclonal antibodies that display a range of fluorescent spectral behavior[1].
Suppliers2 total
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
Additional notes
DefinitionChEBI: 4-(4-styrylphenylcarbamoyl)butyric acid is a dicarboxylic acid monoamide resulting from the formal condensation of one of the carboxyl groups of glutaric acid with the amino group of 4-aminostilbene. It has a role as an epitope. It is a monocarboxylic acid and a dicarboxylic acid monoamide. It is functionally related to a glutaric acid. It derives from a hydride of a stilbene.
Related reactions
0 records
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Compound notes
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