2,5-Bis(4-ethylphenyl)-3,6-dihydroxybenzo-1,4-quinone
Basic information
- CAS
24909-18-0- Standard SMILES
CCc1ccc(C2=C(O)C(=O)C(c3ccc(CC)cc3)=C(O)C2=O)cc1- InChIKey
JTTAVDAEVCLLLX-UHFFFAOYSA-N- Molecular formula
- C22H20O4
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.13615911
Names & identifiers
- Preferred name
- 2,5-Bis(4-ethylphenyl)-3,6-dihydroxybenzo-1,4-quinone
- IUPAC
- 2,5-bis(4-ethylphenyl)-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione
- English name
- 2,5-Cyclohexadiene-1,4-dione,2,5-bis(4-ethylphenyl)-3,6-dihydroxy-
- Molecular formula
- C22H20O4
- Molecular weight
- 348.3918
Names & synonyms
24909-18-02,5-Bis(4-ethylphenyl)-3,6-dihydroxybenzo-1,4-quinone52A4VA7G1EUNII-52A4VA7G1ENSC 114126p-Benzoquinone, 2,5-bis(p-ethylphenyl)-3,6-dihydroxy-NSC-114126DTXSID501796142,5-CYCLOHEXADIENE-1,4-DIONE, 2,5-BIS(4-ETHYLPHENYL)-3,6-DIHYDROXY-RefChem:82708DTXCID10102105NSC114126
Show more names
CHEMBL51850362,5-bis(4-ethylphenyl)-3,6-dihydroxycyclohexa-2,5-diene-1,4-dioneorb16888612,5-Cyclohexadiene-1,4-dione,2,5-bis(4-ethylphenyl)-3,6-dihydroxy-BDBM50596288DS-003671HY-144445CS-0380342
Database identifiers
- CAS
24909-18-0- PubChem CID
- 270944
- DTXSID
DTXSID50179614- ChEMBL
CHEMBL5185036- UNII
- 52A4VA7G1E
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 571
Physicochemical properties
- FDA UNII
- 52 A4VA7G1E · 52A4VA7G1E
Chemistry & industry
Applications
UsesNSC114126 is a potent and orally active inhibitor of EGFR tyrosine kinase (EGFR-TK). NSC114126 has strong antiproliferative activities. NSC114126 has the potential for the research of cancer diseases[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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