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Basic information
- CAS
3155-51-9- Standard SMILES
COc1cc(CCc2ccccc2)oc(=O)c1- InChIKey
OVXOWIKMOIVICB-UHFFFAOYSA-N- Molecular formula
- C14H14O3
- Average molar mass
- 230.263 g/mol
- Monoisotopic mass
- 230.09429431
Names & identifiers
- Preferred name
- 7,8-Dihydro-5,6-dehydrokawain
- IUPAC
- 4-Methoxy-6-(2-phenylethyl)-2H-pyran-2-one
- English name
- 7,8-dihydro-5,6-dehydrokawain
- Molecular formula
- C14H14O3
- Molecular weight
- 230.26
Names & synonyms
Dihydro-5,6-dehydrokawain7,8-dihydro-5,6-dehydrokawain5,6-Dehydro-7,8-dihydrokawain5,6-Dehydro 7,8-dihydrokavain4-Methoxy-6-(2-phenylethyl)-2H-pyran-2-one2H-Pyran-2-one, 4-methoxy-6-(2-phenylethyl)-
Database identifiers
- CAS
3155-51-9- PubChem CID
- 160673
- DTXSID
DTXSID10185453- ChEMBL
CHEMBL1946699- ChEBI
CHEBI:157717- EC Number
- 112-297-5
- Nikkaji
- J584.154B
Properties
Physicochemical properties
- Melting point
- 98.5 °C · 98.5 °C
- Boiling point
- 415.2 · 415.2±45.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- storage temp.
- Amber Vial, Refrigerator, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Pale Beige to Light Beige
- Stability
- Light Sensitive
- InChI
- 1S/C14H14O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3
- InChIKey
- OVXOWIKMOIVICB-UHFFFAOYSA-N
- SMILES
- [o]1[c](cc(cc1CCc2ccccc2)OC)=O
- LogP
- 2.47 · 2.470 (est)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P501
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Applications
Uses4-Methoxy-6-(2-phenylethyl)-2H-pyran-2-one is a Kawain (K145490) derivative that is known to exhibit antimalarial and antituberculosis activities. 4-Methoxy-6-(2-phenylethyl)-2H-pyran-2-one has been identified as a lead compound for the dual treatment of malaria and leishmaniasis.
Suppliers11 total
云南西力生物技术股份有限公司0871-65217109 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳纽柯尔化学技术有限公司13612807752 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
四川百奥克睿生物科技有限公司28-86-28-8543-3893 13260669172 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
上海宾穗生物科技有限公司18301908279 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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