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MCULE-3599457944-1
Structure
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- InChIKey:
- SMILES:
- InChI:
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| 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 | 35 USD | 95 | 14 working days | Get Quote |
| 5 mg | 35 USD | 95 | 14 working days | Get Quote |
| 10 mg | 41 USD | 95 | 14 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3599457944-1.sdf |
| SMILES | MCULE-3599457944-1.smiles |
| Standard InChI | MCULE-3599457944-1.inchi |
| InChIKey | MCULE-3599457944-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-436464504 | Alinda | Building Blocks | 95 | As is | 8 g |
| P-851751227 | AmBeed | On request | N/A | As is | by synthesis |
| P-454676554 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-862067883 | FluoroChem | General BB | N/A | As is | in stock |
| P-445326763 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
| P-855357441 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 173.556 |
| logP | 0.5559 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 78.87 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 38.0625 |
| Atoms | 15 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 4 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
