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MCULE-5018330273
Compound
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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 | 66 USD | 90 | 10 working days | Get Quote |
| 5 mg | 82 USD | 90 | 10 working days | Get Quote |
| 10 mg | 112 USD | 90 | 10 working days | Get Quote |
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1
MCULE-1380899794
- Component type: Main
-
2
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5018330273.sdf |
| SMILES | MCULE-5018330273.smiles |
| Standard InChI | MCULE-5018330273.inchi |
| InChIKey | MCULE-5018330273.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-6654561 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 1 mg |
| P-852095391 | A2B Chem | Predominantly Building Block on demand | 90 | Main component | by synthesis |
| P-890155929 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-894630205 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-503079499 | Innovapharm | Virtual Screening Compounds | 90 | Main component | by synthesis |
| P-454381910 | Key Organics | Building Blocks | 90 | Main component | 1.472 g |
| P-18744892 | Key Organics | Screening Compounds and Fragments | 90 | Main component | 1.472 g |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 415.350 |
| logP | 3.864 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 7 |
| PSA | 45.17 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 119.9128 |
| Atoms | 55 |
| Rings | 3 |
| Heavy atoms | 27 |
| Hydrogen atoms | 28 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
