HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl 4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinecarboxylate
Z-6 · ZD-1 · AKOS 91016 · Methyl 4-(4-fluoroph · Rosuvastatin Impurity 25 · Rosuvastatin Impurity 72 · Rosuvastatin Impurity Z-6 · rosuvastatin intermediates Z-6
Identifiers & Physical Properties
| CAS No. | 289042-11-1 |
|---|---|
| Molecular formula | C17H20FN3O4S |
| Average molar mass | 381.4 g/mol |
| Monoisotopic mass | 381.11585534 g/mol |
| SMILES | COC(=O)c1c(-c2ccc(F)cc2)nc(N(C)S(C)(=O)=O)nc1C(C)C |
| InChIKey | BYVHIGJQQZGFPU-UHFFFAOYSA-N |
| PubChem CID | 9929821 |
| EC No. | 608-290-6 |
| DTXSID | DTXSID90433000 |
Chemical & Physical Properties
| XLogP | 2.5 |
|---|---|
| Topological polar surface area | 97.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 8 |
| Rotatable bonds | 6 |
| Heavy atoms | 26 |
| Formal charge | 0 |
| Complexity | 587 |
| Melting point | 127-129°C |
| Boiling point | 552.0±60.0 °C(Predicted) |
| Density | 1.304±0.06 g/cm3(Predicted) |
| Storage conditions | 2-8°C |
| Solubility | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| Physical state | Solid |
| pKa (acidity coefficient) | -1.85±0.10(Predicted) |
| Color | White |
| CAS DataBase Reference | 289042-11-1(CAS DataBase Reference) |
| GHS pictogram | GHS08 |
| Signal word | Warning |
| GHS hazard statements | H361-H412 |
| GHS precautionary statements | P201-P202-P281-P308+P313-P405-P501-P273-P501 |
Safety & Regulations
| GHS classification | WarningH361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]P203, P273, P280, P318, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Repr. 2 (100%) |
| Signal word | Warning |
| GHS pictogram | GHS08 |
| GHS hazard statements | H361-H412 |
| GHS precautionary statements | P201-P202-P281-P308+P313-P405-P501-P273-P501 |
Applications & Uses
Uses
An intermediate of Rosuvastatin (R700500).