Ctk4E8729
Basic information
- CAS
221349-56-0- Standard SMILES
O=C1[C@H]([C@H](O)CO)[C@@H](c2ccc(OCc3ccccc3)cc2)N1c1ccc(F)cc1- InChIKey
KNTBFPMGACCTOE-DNVJHFABSA-N- Molecular formula
- C24H22FNO4
- Average molar mass
- 407.4 g/mol
- Monoisotopic mass
- 407.15328635
Names & identifiers
- Preferred name
- Ctk4E8729
- IUPAC
- (3S,4S)-3-[(1S)-1,2-dihydroxyethyl]-1-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)azetidin-2-one
- English name
- (3S,4S)-4-(4-(Benzyloxy)phenyl)-3-((S)-1,2-dihydroxyethyl)-1-(4-fluorophenyl)azetidin-2-one
- Molecular formula
- C24H22FNO4
- Molecular weight
- 407.43
Names & synonyms
221349-56-0CTK4E8729DTXSID80432087RefChem:334812DTXCID20382916(3S,4S)-3-[(1S)-1,2-dihydroxyethyl]-1-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)azetidin-2-one2-AZETIDINONE, 3-[(1S)-1,2-DIHYDROXYETHYL]-1-(4-FLUOROPHENYL)-4-[4-(PHENYLMETHOXY)PHENYL]-, (3S,4S)-(3S,4S)-4-[4-(benzyloxy)phenyl]-3-[(1S)-1,2-dihydroxyethyl]-1-(4-fluorophenyl)azetidin-2-one(3S,4S)-4-(4-(Benzyloxy)phenyl)-3-((S)-1,2-dihydroxyethyl)-1-(4-fluorophenyl)azetidin-2-one
Database identifiers
- CAS
221349-56-0- PubChem CID
- 9866085
- DTXSID
DTXSID80432087- Nikkaji
- J1.125.919G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 553
Chemistry & industry
Applications
Uses(3S,4S)-4-(4-(Benzyloxy)phenyl)-3-((S)-1,2-dihydroxyethyl)-1-(4-fluorophenyl)azetidin-2-one is a reactant in the synthesis of Sch 57939, a β-lactam-based cholesterol absorption inhibitor.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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