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Basic information
- CAS
134531-42-3- Standard SMILES
CCCCCCCCCCCCCCCCCCc1ccc(C(=O)C=CC(=O)O)cc1- InChIKey
ZBESASFHIWDSCJ-UHFFFAOYSA-N- Molecular formula
- C28H44O3
- Average molar mass
- 428.657 g/mol
- Monoisotopic mass
- 428.32904527
Names & identifiers
- Preferred name
- 4-(4-Octadecylphenyl)-4-oxo-2-butenoic acid
- IUPAC
- 4-(4-Octadecylphenyl)-4-oxobut-2-enoic acid
- English name
- OBAA
- Molecular formula
- C28H44O3
- Molecular weight
- 428.65
Names & synonyms
OBAA3-(4-OCTADECYL)-BENZOYLACRYLIC ACID4-(4-OCTADECYLPHENYL)-4-OXOBUTENOIC ACID4-(4-octadecylphenyl)-4-oxo-2-Butenoic acid4-(4-Octadecylphenyl)-4-oxobut-2-enoic acid2-Butenoic acid, 4-(4-octadecylphenyl)-4-oxo-
Database identifiers
- CAS
134531-42-3- PubChem CID
- 4579
- DTXSID
DTXSID00610143
Properties
Physicochemical properties
- Boiling point
- 558.6 · 558.6±50.0 °C(Predicted)
- Density
- 0.976 · 0.976±0.06 g/cm3(Predicted)
- storage temp.
- 4 °C · Desiccate at +4°C
- solubility
- 5 mg/mL · DMSO: ≥5mg/mL at 60°C
- form
- powder
- pka
- 3.2 · 3.20±0.10(Predicted)
- color
- white to tan
- InChI
- 1S/C28H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-19-21-26(22-20-25)27(29)23-24-28(30)31/h19-24H,2-18H2,1H3,(H,30,31)
- InChIKey
- ZBESASFHIWDSCJ-UHFFFAOYSA-N
- SMILES
- OC(=O)C=CC(=O)c1ccc(cc1)CCCCCCCCCCCCCCCCCC
- UNSPSC Code
- 41106300 · 41106300
- NACRES
- 77 · NA.77
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety data
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesOBAA is a phospholipase A2 and HSP90 inhibitor.
Suppliers8 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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