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MCULE-4594589097
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 | 35 USD | 90 | 19 working days | Get Quote |
| 5 mg | 51 USD | 90 | 19 working days | Get Quote |
| 10 mg | 64 USD | 90 | 19 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4594589097.sdf |
| SMILES | MCULE-4594589097.smiles |
| Standard InChI | MCULE-4594589097.inchi |
| InChIKey | MCULE-4594589097.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-893086826 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-894677717 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851585164 | AmBeed | On request | N/A | As is | by synthesis |
| P-611183002 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-502530527 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-613319414 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-854895529 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-424839602 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-855272761 | Toronto Research | In stock | 90 | As is | in stock |
| P-2599762 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 908 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 217.227 |
| logP | 1.5383 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 99.82 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 58.8243 |
| Atoms | 27 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 11 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
