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MCULE-5911470962
Compound
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- InChIKey:
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- 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 | 60 USD | 98 | 19 working days | Get Quote |
| 5 mg | 150 USD | 98 | 19 working days | Get Quote |
| 10 mg | 242 USD | 98 | 19 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5911470962.sdf |
| SMILES | MCULE-5911470962.smiles |
| Standard InChI | MCULE-5911470962.inchi |
| InChIKey | MCULE-5911470962.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852112694 | A2B Chem | Predominantly Building Block on demand | 98 | As is | by synthesis |
| P-874636659 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-608497891 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-596562148 | Key Organics | Building Blocks | 97 | As is | 9 mg |
| P-889882071 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 489.644 |
| logP | 5.6412 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 12 |
| PSA | 70.98 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 137.5811 |
| Atoms | 76 |
| Rings | 3 |
| Heavy atoms | 35 |
| Hydrogen atoms | 41 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
