Basic information
- CAS
7527-94-8- Standard SMILES
Nc1ccc(S(=O)(=O)C(CC(=O)c2ccccc2)c2ccccc2)cc1- InChIKey
VWEMSUCCUQSLME-UHFFFAOYSA-N- Molecular formula
- C21H19NO3S
- Average molar mass
- 365.4 g/mol
- Monoisotopic mass
- 365.10856464
Overview
Alkofanone is a member of dihydrochalcones.
Names & identifiers
- Preferred name
- Alkofanone
- IUPAC
- 3-(4-aminophenyl)sulfonyl-1,3-diphenylpropan-1-one
- English name
- Alkofanone
- Molecular formula
- C21H19NO3S
- Molecular weight
- 0
Names & synonyms
ALKOFANONE7527-94-8alfoneUNII-96JNQ0UCWD96JNQ0UCWDALKOFANONE [MI]1-Propanone, 3-((4-aminophenyl)sulfonyl)-1,3-diphenyl-3-((4-AMINOPHENYL)SULFONYL)-1,3-DIPHENYL-1-PROPANONERefChem:1107181-Propanone, 3-((4-aminophenyl)sulfonyl)-1,3-diphenyl-(9CI)(+-)-3-((4-AMINOPHENYL)SULFONYL)-1,3-DIPHENYL-1-PROPANONE3-(4-aminophenyl)sulfonyl-1,3-diphenylpropan-1-one
Show more names
3-[(4-Aminophenyl)sulfonyl]-1,3-diphenyl-1-propanone
SCHEMBL667296orb1698557DTXSID40996736CHEBI:135540AKOS040750323T29868Q272719053-(4-Aminobenzene-1-sulfonyl)-1,3-diphenylpropan-1-one
Database identifiers
- CAS
7527-94-8- PubChem CID
- 24145
- DTXSID
DTXSID40996736- ChEBI
CHEBI:135540- UNII
- 96JNQ0UCWD
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 548
Physicochemical properties
- FDA UNII
- 96 JNQ0UCWD · 96JNQ0UCWD
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: Alkofanone is a member of dihydrochalcones.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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