SEMOTIADIL
Catalog No: FT-0631083
CAS No: 116476-13-2
- Chemical Name: SEMOTIADIL
- Molecular Formula: C29H32N2O6S
- Molecular Weight: 536.6 g/mol
- InChI Key: RKXVEXUAWGRFNP-MUUNZHRXSA-N
- InChI: InChI=1S/C29H32N2O6S/c1-30(14-16-34-21-10-12-25-26(18-21)37-19-36-25)13-6-15-35-24-11-9-20(33-3)17-22(24)28-29(32)31(2)23-7-4-5-8-27(23)38-28/h4-5,7-12,17-18,28H,6,13-16,19H2,1-3H3/t28-/m1/s1
| 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 |
| Product_Name: | (2R)-2-[2-[3-[2-(1,3-benzodioxol-5-yloxy)ethyl-methylamino]propoxy]-5-methoxyphenyl]-4-methyl-1,4-benzothiazin-3-one |
|---|---|
| Flash_Point: | 393.7ºC |
| Melting_Point: | N/A |
| FW: | 536.63900 |
| Density: | 1.263g/cm3 |
| CAS: | 116476-13-2 |
| Bolling_Point: | 727.3ºC at 760mmHg |
| MF: | C29H32N2O6S |
| Molecular_Structure: | ['1 . Molar refractive index 14748 ', '2 . Molar volume 4248 ', '3 . Parachor （902K）11340 ', '4 . Surface tension 507 ', '5 . Polarizability 5846'] |
|---|---|
| LogP: | 5.07840 |
| Flash_Point: | 393.7ºC |
| Refractive_Index: | 1.61 |
| FW: | 536.63900 |
| Density: | 1.263g/cm3 |
| Bolling_Point: | 727.3ºC at 760mmHg |
| Computational_Chemistry: | ['1. XlogP :51 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :8 ', '4. Rotatable Bond Count :11 ', '5. Isotope Atom Count :2 ', '6. TPSA 95 ', '7. Heavy Atom Count :38 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :761 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :1 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| PSA: | 95.00000 |
| Exact_Mass: | 536.19800 |
| Vapor_Pressure: | 5.23E-21mmHg at 25°C |
| MF: | C29H32N2O6S |
