MCULE-4004493343-0
- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
![]() Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
![]() Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 19 USD | 97 | 20 working days | Get Quote |
| 5 mg | 19 USD | 97 | 20 working days | Get Quote |
| 10 mg | 19 USD | 97 | 20 working days | Get Quote |
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MCULE-3768809289-0
- Component type: Main
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MCULE-6780035248-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4004493343-0.sdf |
| SMILES | MCULE-4004493343-0.smiles |
| Standard InChI | MCULE-4004493343-0.inchi |
| InChIKey | MCULE-4004493343-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1270242647 | 95 | As is | in stock |
| P-1266104035 | 95 | As is | in stock |
| P-904601773 | 95 | As is | by resynthesis (? - ? days) |
| P-851433846 | N/A | As is | by synthesis |
| P-851437839 | N/A | As is | by synthesis |
| P-867571133 | 95 | As a main component | in stock |
| P-867615773 | 95 | As a main component | in stock |
| P-892790150 | 95 | As a main component | by resynthesis (? - ? days) |
| P-595221403 | 95 | As a main component | by resynthesis (? - ? days) |
| P-893432474 | 90 | As a main component | by synthesis |
| P-893522512 | 90 | As a main component | 53.29 g |
| P-1270405300 | 95 | As a main component | in stock |
| P-851930091 | N/A | As a main component | in stock |
| P-901663338 | N/A | As a main component | by synthesis |
| P-904774381 | N/A | As a main component | by synthesis |
| P-865908018 | 97 | As a main component | 25 g |
| P-895919469 | 95 | As a main component | by resynthesis (? - ? days) |
| P-896034037 | 97 | As a main component | by synthesis |
| P-864203622 | 95 | As a main component | in stock |
| P-889411678 | 97 | As a main component | 1.79 g |
| P-579459379 | 97 | As a main component | 250 mg |
| P-855918829 | 95 | As a main component | 250 mg |
| P-580485341 | N/A | As a main component | by synthesis |
| P-596754691 | 95 | As a main component | 0 mg |
| P-904089793 | 97 | As a main component | 55 g |
| P-611348962 | 90 | As a main component | in stock |
| P-611348964 | 90 | As a main component | in stock |
| P-1271704575 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 86.136 |
| logP | 0.8606 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 52.04 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 26.2828 |
| Atoms | 16 |
| Rings | 0 |
| Heavy atoms | 6 |
| Hydrogen atoms | 10 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |

