Basic information
- CAS
113046-72-3- Standard SMILES
CCOC(=O)c1c2n(c3cc(F)c(F)cc3c1=O)C(C)S2- InChIKey
UUJUEXKIHKGFTH-UHFFFAOYSA-N- Molecular formula
- C14H11F2NO3S
- Average molar mass
- 311.31 g/mol
- Monoisotopic mass
- 311.04277071
Names & identifiers
- Preferred name
- Ethyl 6,7-difluoro-1-methyl-4-oxo-1,4-dihydro-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
- IUPAC
- ethyl 6,7-difluoro-1-methyl-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
- English name
- Ethyl 6,7-difluoro-1-methyl-4-oxo-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
- Molecular formula
- C14H11F2NO3S
- Molecular weight
- 311.3
Names & synonyms
113046-72-3Ethyl 6,7-difluoro-1-methyl-4-oxo-1,4-dihydro-[1,3]thiazeto[3,2-a]quinoline-3-carboxylateEthyl 6,7-difluoro-1-methyl-4-oxo-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylateethyl 6,7-difluoro-1-methyl-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylateC14H11F2NO3SEthyl 6,7-Difluoro-1-methyl-4-oxo-1H,4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylateMFCD080639396,7-Difluoro-1-methyl-4-oxo-1H,4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic Acid Ethyl EsterEthyl 6,7-difluoro-1-methyl-4-oxo-4H-(1,3)thiazeto(3,2-a)quinoline-3-carboxylateUUJUEXKIHKGFTH-UHFFFAOYSA-NPrulifloxacin Impurity 1SCHEMBL1699779
Show more names
PL-9Pa14CPanc813PANC 813Panc8.13Panc-813Panc 8.13Panc-8_13Panc 08.13 Cells LinePRULIFLOXACIN INTERMEDIATE
DTXSID10439044AKOS015901524AC-2015113028-84-5DS-15086DB-029754CS-0151800F20555
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 524
Physicochemical properties
- Melting point
- 202 °C · 202 °C(Solv: chloroform (67-66-3); methanol (67-56-1))
- Boiling point
- 436.8 · 436.8±45.0 °C(Predicted)
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- -6.29 · -6.29±0.60(Predicted)
- CAS DataBase Reference
- 113046 · 113046-72-3(CAS DataBase Reference)
Chemistry & industry
Applications
UsesAn ester of a fluorinated [1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid derivative with bactericidal activity.
Upstream & downstream products
Downstream products
Suppliers68 total
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
凯试(上海)科技有限公司
Related reactions
6 records
Compound notes
Loading…