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MCULE-3450631272-0
Structure
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- 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 | 34 USD | 95 | 15 working days | Get Quote |
| 5 mg | 34 USD | 95 | 15 working days | Get Quote |
| 10 mg | 34 USD | 95 | 15 working days | Get Quote |
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1
MCULE-4932039454-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3450631272-0.sdf |
| SMILES | MCULE-3450631272-0.smiles |
| Standard InChI | MCULE-3450631272-0.inchi |
| InChIKey | MCULE-3450631272-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1273229135 | 95 | As is | 110.2 g |
| P-874444348 | 95 | As is | by synthesis |
| P-895385492 | 95 | Main component | by synthesis |
| P-904325919 | 90 | Main component as a main component | 49.57 g |
| P-902967176 | 95 | Main component as a main component | 15.958 g |
| P-861316091 | 95 | Main component as a main component | 8.965 g |
| P-903005930 | 95 | Main component as a main component | by synthesis |
| P-868645113 | 95 | Main component as a main component | in stock |
| P-905408576 | 98 | Main component as a main component | 33.1 g |
| P-1272511133 | 95 | Main component as a main component | in stock |
| P-1268711198 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 406.901 |
| logP | 5.047 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 13 |
| PSA | 90.65 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 109.7841 |
| Atoms | 55 |
| Rings | 2 |
| Heavy atoms | 28 |
| Hydrogen atoms | 27 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
