Basic information
- CAS
30299-29-7- Standard SMILES
CCOC(=O)C(C)(CC)Oc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1- InChIKey
USOUKHSVWHSNMI-UHFFFAOYSA-N- Molecular formula
- C25H32O4
- Average molar mass
- 396.5 g/mol
Names & identifiers
- Preferred name
- Clinofibrate Impurity 1
- IUPAC
- ethyl 2-[4-[1-(4-hydroxyphenyl)cyclohexyl]phenoxy]-2-methylbutanoate
- English name
- Clinofibrate Impurity
- Molecular formula
- C25H32O4
- Molecular weight
- 396.52
Names & synonyms
Clinofibrate Impurity 130299-29-7Butanoic acid, 2-[4-[1-(4-hydroxyphenyl)cyclohexyl]phenoxy]-2-methyl-, ethyl ester
Database identifiers
- CAS
30299-29-7
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 511
Physicochemical properties
- Boiling point
- 516.6 · 516.6±45.0 °C(Predicted)
- Density
- 1.106 · 1.106±0.06 g/cm3(Predicted)
- pka
- 10.21 · 10.21±0.30(Predicted)
Chemistry & industry
Suppliers7 total
济南百隆化学有限公司[email protected] · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
BOC Sciences16314854226 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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