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MCULE-9101392328-1
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.
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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 | 55 USD | 98 | 12 working days | Get Quote |
| 5 mg | 55 USD | 98 | 12 working days | Get Quote |
| 10 mg | 55 USD | 98 | 12 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-9101392328-1.sdf |
| SMILES | MCULE-9101392328-1.smiles |
| Standard InChI | MCULE-9101392328-1.inchi |
| InChIKey | MCULE-9101392328-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-597016312 | AEchem | Building blocks | 98 | As is | in stock |
| P-489191292 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-580192912 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-860054706 | AvaChem Scientific | All products | 99 | As is | by synthesis |
| P-851326351 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-500407474 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-889868179 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-855363189 | Toronto Research | In stock | 90 | As is | in stock |
| P-615458019 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 446.501 |
| logP | 3.6566 |
| H-bond acceptors | 9 |
| H-bond donors | 3 |
| Rotatable bonds | 8 |
| PSA | 129.81 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 123.7478 |
| Atoms | 59 |
| Rings | 4 |
| Heavy atoms | 33 |
| Hydrogen atoms | 26 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
