Basic information
- CAS
596-38-3- Standard SMILES
OC1(c2ccccc2)c2ccccc2Oc2ccccc21- InChIKey
CVZUPKFPOSRRSK-UHFFFAOYSA-N- Molecular formula
- C19H14O2
- Average molar mass
- 274.3 g/mol
- Monoisotopic mass
- 274.09937969
Names & identifiers
- Preferred name
- 9-Phenylxanthen-9-ol
- IUPAC
- 9-phenylxanthen-9-ol
- English name
- 9-PHENYLXANTHEN-9-OL
- Molecular formula
- C19H14O2
- Molecular weight
- 274.31
Names & synonyms
9-Phenylxanthen-9-ol596-38-39H-Xanthen-9-ol, 9-phenyl-ZYU7R74XJGDTXSID30208279RefChem:1075044DTXCID00130770209-882-39-Phenyl-9-xanthenolAntioxidant agent-15MFCD00005058EINECS 209-882-3
Show more names
St5308451NSC 16331Zinc03861547Phenylxanthenol9-PhenylxanthydrolLABOTEST-BB LT001597279-Phenylxanthen-9-ol,98%
UNII-ZYU7R74XJGAI3-05841AKOS015916222P1269T72677SCHEMBL29722CHEMBL597166orb2277565
Database identifiers
- CAS
596-38-3- PubChem CID
- 68997
- DTXSID
DTXSID30208279- ChEMBL
CHEMBL597166- UNII
- ZYU7R74XJG
- EC Number
- 209-882-3
- Nikkaji
- J134.371H
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Melting point
- 158 · 158-161 °C(lit.)
- Boiling point
- 377.3 °C · 377.3°C (rough estimate)
- Density
- 1.116 · 1.1160 (rough estimate)
- refractive index
- 1.551 · 1.5510 (estimate)
- form
- powder to crystal
- pka
- 12.76 · 12.76±0.20(Predicted)
- color
- White to Almost white
- CAS DataBase Reference
- 596 · 596-38-3(CAS DataBase Reference)
- FDA UNII
- 7 R74XJG · ZYU7R74XJG
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- F
- 8 · 8
Safety & regulation
Safety data
- F
- 8
- wgk
- 3
- hs_code
- 2932.99.7000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesAntioxidant agent-15 (Compound 4) is a potent antioxidant inhibition activity, with the IC50 of 15.44 nM. Antioxidant agent-15 inhibits tumor cell growth in Hela, Hep G2 and Caco-2 cells, with the IC50 of 395.26, 400.4 and 24.6 nM, respectively[1].
Suppliers40 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海药诚医药科技合伙企业（有限合伙）400-6181121 18616381138 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
凯美赛尔生物医药有限公司020-13556033878 2965585218 13556033878 · [email protected]
Related reactions
2 records
Compound notes
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