Basic information
- CAS
723746-47-2- Standard SMILES
CNc1ccc(Br)cc(C(=O)C=Cc2ccc(Cl)cc2)c1=O- InChIKey
BUMNZRXLKXQECY-UHFFFAOYSA-N- Molecular formula
- C17H13BrClNO2
- Average molar mass
- 378.6 g/mol
Names & identifiers
- Preferred name
- 4-Bromo-2-[3-(4-chlorophenyl)prop-2-enoyl]-7-(methylamino)cyclohepta-2,4,6-trien-1-one
- IUPAC
- 4-bromo-2-[3-(4-chlorophenyl)prop-2-enoyl]-7-(methylamino)cyclohepta-2,4,6-trien-1-one
- English name
- 4-bromo-2-[3-(4-chlorophenyl)acryloyl]-7-(methylamino)-2,4,6-cycloheptatrien-1-one
- Molecular formula
- C17H13BrClNO2
- Molecular weight
- 378.65
Names & synonyms
orb1740676LC284-bromo-2-[3-(4-chlorophenyl)acryloyl]-7-(methylamino)-2,4,6-cycloheptatrien-1-one
Database identifiers
- CAS
723746-47-2
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 581
Physicochemical properties
- Boiling point
- 462.176 · 462.176±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.512 · 1.512±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.218 · 2.218±0.20(predicted)
Chemistry & industry
Applications
DescriptionLC28 is a novel inhibitor of STAT3 signaling, suppressing survival of cisplatin-resistant ovarian cancer cells.
Suppliers2 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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