Bosentan
Catalog No: FT-0658809
CAS No: 147536-97-8
- Chemical Name: Bosentan
- Molecular Formula: C27H29N5O6S
- Molecular Weight: 551.6
- InChI Key: GJPICJJJRGTNOD-UHFFFAOYSA-N
- InChI: InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)
| Assay | Pack Size | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Melting_Point: | 171-175 °C(lit.) |
|---|---|
| CAS: | 147536-97-8 |
| MF: | C27H29N5O6S |
| Flash_Point: | 402.8±35.7 °C |
| Product_Name: | Bosentan |
| Density: | 1.3±0.1 g/cm3 |
| FW: | 551.614 |
| Bolling_Point: | 742.3±70.0 °C at 760 mmHg |
| Refractive_Index: | 1.607 |
|---|---|
| Vapor_Pressure: | 0.0±2.6 mmHg at 25°C |
| Flash_Point: | 402.8±35.7 °C |
| LogP: | 1.15 |
| Bolling_Point: | 742.3±70.0 °C at 760 mmHg |
| FW: | 551.614 |
| PSA: | 154.03000 |
| Computational_Chemistry: | ['1. XlogP :38 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :11 ', '4. Rotatable Bond Count :11 ', '5. Isotope Atom Count :3 ', '6. TPSA 154 ', '7. Heavy Atom Count :39 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :839 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| Melting_Point: | 171-175 °C(lit.) |
| MF: | C27H29N5O6S |
| Exact_Mass: | 551.183838 |
| Molecular_Structure: | ['1 . Molar refractive index 14369 ', '2 . Molar volume 4160 ', '3 . Parachor （902K）11611 ', '4 . Surface tension 606 ', '5 . Polarizability 5696'] |
| Density: | 1.3±0.1 g/cm3 |
| More_Info: | ['1. Melting point（ºC）从乙酸 Ethanol 结晶，. Melting point大于250℃。'] |
| Safety_Statements: | S26-S36/37-S24/25-S22 |
|---|---|
| Hazard_Codes: | Xi |
| HS_Code: | 2935009090 |
| Risk_Statements(EU): | R36:Irritating to the eyes. R43:May cause sensitization by skin contact. |
| WGK_Germany: | 3 |
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