Basic information
- CAS
185835-97-6- Standard SMILES
COC[C@@H]1CN(c2noc3cc(OCCCC(F)(F)F)ccc23)C(=O)O1- InChIKey
SQMNCLANJWZZOG-NSHDSACASA-N- Molecular formula
- C16H17F3N2O5
- Average molar mass
- 374.31 g/mol
- Monoisotopic mass
- 374.10895613
Names & identifiers
- Preferred name
- (5S)-5-(Methoxymethyl)-3-[6-(4,4,4-trifluorobutoxy)-1,2-benzoxazol-3-YL]-1,3-oxazolidin-2-one
- IUPAC
- (5S)-5-(methoxymethyl)-3-[6-(4,4,4-trifluorobutoxy)-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one
- English name
- (5S)-5-(METHOXYMETHYL)-3-[6-(4,4,4-TRIFLUOROBUTOXY)-1,2-BENZOXAZOL-3-YL]-1,3-OXAZOLIDIN-2-ONE
- Molecular formula
- C16H17F3N2O5
- Molecular weight
- 374.31
Names & synonyms
185835-97-6SL-25.1188(5S)-5-(METHOXYMETHYL)-3-[6-(4,4,4-TRIFLUOROBUTOXY)-1,2-BENZOXAZOL-3-YL]-1,3-OXAZOLIDIN-2-ONESL251188A8C48J5JCPUNII-A8C48J5JCPSL-251188CHEMBL3354977(5S)-5-(Methoxymethyl)-3-(6-(4,4,4-trifluorobutoxy)-1,2-benzisoxazol-3-yl)-2-oxazolidinone(S)-5-(methoxymethyl)-3-(6-(4,4,4-trifluorobutoxy)benzo[d]isoxazol-3-yl)oxazolidin-2-one2-Oxazolidinone, 5-(methoxymethyl)-3-(6-(4,4,4-trifluorobutoxy)-1,2-benzisoxazol-3-yl)-, (5S)-2-Oxazolidinone, 5-(methoxymethyl)-3-(6-(4,4,4-trifluorobutoxy)-1,2-benzisoxazol-3-yl)-, (S)-
Show more names
CS-313SL 2511882-Oxazolidinone, 5-(methoxymethyl)-3-[6-(4,4,4-trifluorobutoxy)-1,2-benzisoxazol-3-yl]-, (5S)-(5S)-5-(methoxymethyl)-3-[6-(4,4,4-trifluorobutoxy)-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one - [AC78030]
SQMNCLANJWZZOG-NSHDSACASA-Norb1699285SCHEMBL7377168DTXSID00430924BDBM50041003AKOS040749516PD117914HY-117502
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 74 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 493
Physicochemical properties
- Boiling point
- 444.8 · 444.8±45.0 °C(Predicted)
- Density
- 1.358 · 1.358±0.06 g/cm3(Predicted)
- pka
- -1.1 · -1.10±0.30(Predicted)
- FDA UNII
- 8 C48J5JCP · A8C48J5JCP
Chemistry & industry
Applications
UsesSL-25.1188 is a potent monoamine oxidase B (MAO-B) inhibitor with Ki values of 2.9 and 8.5 nM for human MAO-B and rat MAO-B, respectively. SL-25.1188 can be used for positron emission tomography[1].
Suppliers9 total
AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]
Wuhan NCE Biomedical Co.,Ltd.4000-027-021 |24 +86-13986109188 | +86-15623472865 | +81-08033611988
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
Cckinase, Inc.+1 (732)236-3202 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
常州辰鸿生物科技有限公司+86-0519-85788828 +86-13775037613 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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