MCULE-1921499437-0
- 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 | 10 USD | 98 | 8 working days | Get Quote |
| 5 mg | 10 USD | 98 | 8 working days | Get Quote |
| 10 mg | 10 USD | 98 | 8 working days | Get Quote |
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1
MCULE-2415764032-2
- Component type: Main
-
1
MCULE-3743781291-0
- Component type: Counter Ion
-
3
MCULE-3833394421-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1921499437-0.sdf |
| SMILES | MCULE-1921499437-0.smiles |
| Standard InChI | MCULE-1921499437-0.inchi |
| InChIKey | MCULE-1921499437-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-489157890 | 97 | As is | in stock |
| P-1275152301 | 95 | Main component as a main component | in stock |
| P-1275177810 | 98 | Main component as a main component | in stock |
| P-1270377018 | 98 | Main component as a main component | in stock |
| P-606869103 | N/A | Main component as a main component | in stock |
| P-489123260 | 97 | Main component as a main component | in stock |
| P-895929607 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-864183751 | 95 | Main component as a main component | in stock |
| P-580700808 | 98 | Main component as a main component | 2.665 kg |
| P-868591713 | 98 | Main component as a main component | in stock |
| P-905346715 | 98 | Main component as a main component | 400 g |
| P-862031656 | 98 | Main component as a main component | 22.9391 kg |
| P-870658740 | 99 | Main component as a main component | in stock |
| P-524163340 | 98 | Main component as a main component | 1000 g |
| P-1272588805 | 95 | Main component as a main component | 2 kg |
| P-852467289 | 95 | Main component as a main component | by synthesis |
| P-621857824 | 90 | Main component as a main component | by synthesis |
| P-885560625 | 95 | Main component as a main component | by synthesis |
| P-906775473 | 98 | Main component as a main component | by synthesis |
| P-611498173 | 90 | Main component as a main component | in stock |
| P-1271632757 | 98 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 5 |
| Mass | 203.037 |
| logP | -4.0517 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 129.34 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 21.0339 |
| Atoms | 16 |
| Rings | 0 |
| Heavy atoms | 12 |
| Hydrogen atoms | 4 |
| Heteroatoms | 9 |
| N/O atoms | 6 |
| Inorganic atoms | 3 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

