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MCULE-5652908593-0
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 | 94 USD | 95 | 34 working days | Get Quote |
| 5 mg | 94 USD | 95 | 34 working days | Get Quote |
| 10 mg | 94 USD | 95 | 34 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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1
MCULE-9022594551-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5652908593-0.sdf |
| SMILES | MCULE-5652908593-0.smiles |
| Standard InChI | MCULE-5652908593-0.inchi |
| InChIKey | MCULE-5652908593-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-893542010 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 8.65 g |
| P-851031183 | BLD pharm | In-stock building blocks | 95 | As is | unavailable |
| P-887319579 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-895817781 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-591005412 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
| P-854942915 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 221.705 |
| logP | 2.2932 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 80.56 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 54.6634 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 12 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| 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 |
