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MCULE-8788830631
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 | 44 USD | 95 | 16 working days | Get Quote |
| 5 mg | 44 USD | 95 | 16 working days | Get Quote |
| 10 mg | 44 USD | 95 | 16 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-8788830631.sdf |
| SMILES | MCULE-8788830631.smiles |
| Standard InChI | MCULE-8788830631.inchi |
| InChIKey | MCULE-8788830631.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867668303 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-590401049 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-606884289 | AmBeed | In stock | N/A | As is | in stock |
| P-596999091 | Angene | Building Blocks in stock | 95 | As is | 450 mg |
| P-579786849 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864160308 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-862147170 | FluoroChem | General BB | N/A | As is | in stock |
| P-454408878 | Key Organics | Building Blocks | 90 | As is | 400 mg |
| P-18795613 | Key Organics | Screening Compounds and Fragments | 90 | As is | 400 mg |
| P-888877250 | PharmaBlock | In stock | N/A | As is | in stock |
| P-615412005 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 209.242 |
| logP | 2.9777 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 29.96 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 64.0435 |
| Atoms | 27 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 11 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
