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MCULE-3045629327-0
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 | 44 USD | 98 | 16 working days | Get Quote |
| 5 mg | 44 USD | 98 | 16 working days | Get Quote |
| 10 mg | 73 USD | 98 | 16 working days | Get Quote |
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1
MCULE-1413855591-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3045629327-0.sdf |
| SMILES | MCULE-3045629327-0.smiles |
| Standard InChI | MCULE-3045629327-0.inchi |
| InChIKey | MCULE-3045629327-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1264051893 | 98 | As is | in stock |
| P-890233755 | 98 | As is | by synthesis |
| P-895188649 | 95 | As is | by synthesis |
| P-893610003 | 90 | Main component | 5.143 g |
| P-893279328 | 99 | Main component | 340 mg |
| P-871219052 | N/A | Main component | by resynthesis (? - ? days) |
| P-851239726 | 95 | Main component | by synthesis |
| P-893626718 | 95 | Main component | by synthesis |
| P-1272596726 | 95 | Main component | 100 mg |
| P-852519568 | 95 | Main component | by synthesis |
| P-854719536 | 95 | Main component | in stock |
| P-871069754 | 95 | Main component | in stock |
| P-878643037 | 98 | Main component | in stock |
| P-906838271 | 99 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 532.027 |
| logP | 5.8106 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 12 |
| PSA | 91.76 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 151.282 |
| Atoms | 68 |
| Rings | 4 |
| Heavy atoms | 38 |
| Hydrogen atoms | 30 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| 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 |
