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MCULE-4468797513-0
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.
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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 | 53 USD | 95 | 7 working days | Get Quote |
| 5 mg | 53 USD | 95 | 7 working days | Get Quote |
| 10 mg | 53 USD | 95 | 7 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-1818398047-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4468797513-0.sdf |
| SMILES | MCULE-4468797513-0.smiles |
| Standard InChI | MCULE-4468797513-0.inchi |
| InChIKey | MCULE-4468797513-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867632041 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875796046 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-894634661 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-494409702 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-494301458 | BioBlocks | In stock | 95 | As is | in stock |
| P-861484097 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-854953704 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-855217650 | Toronto Research | In stock | 90 | As is | in stock |
| P-893846149 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-867639379 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
| P-875804933 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-869347372 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-866722640 | Apollo Scientific | On request | 95 | Main component | by resynthesis (? - ? days) |
| P-577179324 | ChemDiv | Building Blocks on demand | 90 | Main component | by synthesis |
| P-861430337 | Combi-Blocks | Building Block on demand | 95 | Main component | by synthesis |
| P-580390153 | Debye Scientific | General Catalog | N/A | Main component | by resynthesis (? - ? days) |
| P-588251895 | Manchester Organics | Compounds on demand | N/A | Main component | by synthesis |
| P-852604501 | Matrix Scientific | All | N/A | Main component | in stock |
| P-854854634 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-893729624 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 241.755 |
| logP | 3.5106 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 21.26 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 73.5027 |
| Atoms | 36 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 20 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
