Basic information
- CAS
623163-52-0- Standard SMILES
O=C1C(Cl)=C(N2C(=O)CCC2=O)C(=O)c2ccccc21- InChIKey
GYQSWJNGTWVFOL-UHFFFAOYSA-N- Molecular formula
- C14H8ClNO4
- Average molar mass
- 289.67 g/mol
- Monoisotopic mass
- 289.01418542
Names & identifiers
- Preferred name
- MEK inhibitor II
- IUPAC
- 1-(3-chloro-1,4-dioxonaphthalen-2-yl)pyrrolidine-2,5-dione
- English name
- 2-CHLORO-3-(N-SUCCINIMIDYL)-1,4-NAPHTHOQUINONE
- Molecular formula
- C14H8ClNO4
- Molecular weight
- 289.67
Names & synonyms
MEK Inhibitor II1-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)pyrrolidine-2,5-dioneNSC-686549DTXSID40327788RefChem:156289DTXCID10278899623163-52-0NSC686549CHEMBL4049391-(3-chloro-1,4-dioxonaphthalen-2-yl)pyrrolidine-2,5-dioneGTPL6007orb3136972
Show more names
2-CHLORO-3-(N-SUCCINIMIDYL)-1,4-NAPHTHOQUINONE2,5-Pyrrolidinedione, 1-(3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)-
SCHEMBL12618420HMS3229K16BDBM50375664EX-A15138HSCI1_000187CCG-206866SDCCGSBI-0086772.P003NCI60_031219
Database identifiers
- CAS
623163-52-0- PubChem CID
- 389898
- DTXSID
DTXSID40327788- ChEMBL
CHEMBL404939- Nikkaji
- J3.554.829G
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 550
Physicochemical properties
- Boiling point
- 415.6 · 415.6±55.0 °C(Predicted)
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- pka
- -12.54 · -12.54±0.20(Predicted)
Chemistry & industry
Suppliers8 total
上海冬洋生物科技有限公司0512-13601744364 13601744364
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海之坤生物科技有限公司15821335126 15821335126 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
济南九黎生物科技有限公司15865264761 · [email protected]
广州优南科技有限公司020-82000279 18988941452 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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