Estramustine
Catalog No: FT-0603624
CAS No: 2998-57-4
- Molecular Formula: 440.4
- Formula Weight: C23H31Cl2NO3
- Inchl Key: FRPJXPJMRWBBIH-RBRWEJTLSA-N
- Inchl: InChI=1S/C23H31Cl2NO3/c1-23-9-8-18-17-5-3-16(29-22(28)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)27/h3,5,14,18-21,27H,2,4,6-13H2,1H3/t18-,19-,20+,21+,23+/m1/s1
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Melting_Point: | 104 - 105ºC |
|---|---|
| CAS: | 2998-57-4 |
| MF: | C23H31Cl2NO3 |
| Flash_Point: | 296ºC |
| Product_Name: | estramustine |
| Density: | 1.253 g/cm3 |
| FW: | 440.40300 |
| Bolling_Point: | 565.8ºC at 760 mmHg |
| Refractive_Index: | 1.576 |
|---|---|
| Vapor_Pressure: | 1.23E-13mmHg at 25°C |
| Flash_Point: | 296ºC |
| LogP: | 5.18200 |
| Bolling_Point: | 565.8ºC at 760 mmHg |
| FW: | 440.40300 |
| PSA: | 49.77000 |
| Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :N/A ', '6. TPSA :498 ', '7. Heavy Atom Count :29 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :585 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :5 ', '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: | 104 - 105ºC |
| MF: | C23H31Cl2NO3 |
| Exact_Mass: | 439.16800 |
| Density: | 1.253 g/cm3 |
