Basic information
- CAS
1298022-53-3- Standard SMILES
C=Cc1ccc(C(C)(C)C2=NC(C)(C)CO2)cc1- InChIKey
CTXIAZQUMATWBR-UHFFFAOYSA-N- Molecular formula
- C16H21NO
- Average molar mass
- 243.34 g/mol
- Monoisotopic mass
- 243.16231429
Names & identifiers
- Preferred name
- Bilastine Impurity 22
- IUPAC
- 2-[2-(4-ethenylphenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole
- English name
- Oxazole, 2-[1-(4-ethenylphenyl)-1-methylethyl]-4,5-dihydro-4,4-dimethyl-
- Molecular formula
- C16H21NO
- Molecular weight
- 243.34
Names & synonyms
Bilastine Impurity 221298022-53-34,4-dimethyl-2-(2-(4-vinylphenyl)propan-2-yl)-4,5-dihydrooxazoleDTXSID101149648Oxazole, 2-[1-(4-ethenylphenyl)-1-methylethyl]-4,5-dihydro-4,4-dimethyl-2-[2-(4-Ethenylphenyl)propan-2-yl]-4,4-dimethyl-4,5-dihydro-1,3-oxazole
Database identifiers
- CAS
1298022-53-3- PubChem CID
- 54672425
- DTXSID
DTXSID101149648
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Boiling point
- 327.5 · 327.5±21.0 °C(Predicted)
- Density
- 0.97 · 0.97±0.1 g/cm3(Predicted)
- pka
- 5.78 · 5.78±0.70(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers14 total
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
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广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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