DELAVIRDINE
Catalog No: FT-0603115
CAS No: 136817-59-9
- Molecular Formula: 456.6
- Formula Weight: C22H28N6O3S
- Inchl Key: WHBIGIKBNXZKFE-UHFFFAOYSA-N
- Inchl: InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Bolling_Point: | 732ºC at 760mmHg |
|---|---|
| MF: | C22H28N6O3S |
| Density: | 1.388g/cm3 |
| FW: | 456.56100 |
| Product_Name: | Delavirdine |
| CAS: | 136817-59-9 |
| Flash_Point: | 396.5ºC |
| Melting_Point: | 226-228ºC |
| Bolling_Point: | 732ºC at 760mmHg |
|---|---|
| Vapor_Pressure: | 2.74E-21mmHg at 25°C |
| More_Info: | ['1. Appearance 从乙酸乙酯-己烷结晶。 ', '2. Melting point226-228℃。'] |
| LogP: | 3.94680 |
| Computational_Chemistry: | ['1. XlogP :24 ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :7 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :6 ', '6. TPSA 119 ', '7. Heavy Atom Count :32 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :749 ', '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: | 226-228ºC |
| Exact_Mass: | 456.19400 |
| MF: | C22H28N6O3S |
| Density: | 1.388g/cm3 |
| Refractive_Index: | 1.68 |
| PSA: | 118.81000 |
| Flash_Point: | 396.5ºC |
| Molecular_Structure: | ['1 . Molar refractive index 12434 ', '2 . Molar volume 3287 ', '3 . Parachor （902K）9587 ', '4 . Surface tension 723 ', '5 . Polarizability 4929'] |
| FW: | 456.56100 |
