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MCULE-5961645860
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.
|
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 | 33 USD | 90 | 17 working days | Get Quote |
| 5 mg | 35 USD | 90 | 17 working days | Get Quote |
| 10 mg | 41 USD | 90 | 17 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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| Name | File |
|---|---|
| SDF | MCULE-5961645860.sdf |
| SMILES | MCULE-5961645860.smiles |
| Standard InChI | MCULE-5961645860.inchi |
| InChIKey | MCULE-5961645860.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852088264 | A2B Chem | Predominantly Building Block on demand | 98 | As an isomer | by synthesis |
| P-675062138 | Alinda | Stock Screening Compounds | 90 | As an isomer | in stock |
| P-865915899 | Angene | Building Blocks in stock | 93 | As an isomer | 200 mg |
| P-588250902 | Manchester Organics | Compounds on demand | N/A | As an isomer | by synthesis |
| P-888666427 | Princeton Biomolecular Research | Screening Compounds | 90 | As an isomer | in stock |
| P-888627124 | TargetMol | Screening Compounds | 95 | As an isomer | by synthesis |
| P-869108080 | TargetMol | Screening Compounds - stock amount | 95 | As an isomer | in stock |
| P-855211634 | Toronto Research | In stock | 90 | As an isomer | in stock |
| P-852026597 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As an isomer | 4.981 g |
| P-852060781 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As an isomer | 4.981 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 274.786 |
| logP | 3.8186 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 16.13 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 80.824 |
| Atoms | 38 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 19 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
