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MCULE-4571510952
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 | 73 USD | 98 | 16 working days | Get Quote |
| 5 mg | 73 USD | 98 | 16 working days | Get Quote |
| 10 mg | 73 USD | 98 | 16 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4571510952.sdf |
| SMILES | MCULE-4571510952.smiles |
| Standard InChI | MCULE-4571510952.inchi |
| InChIKey | MCULE-4571510952.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-610894852 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | As is | by synthesis |
| P-489225774 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-580726830 | BLD pharm | In-stock building blocks | 98 | As is | 768 mg |
| P-887198609 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-854715789 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-579712388 | Selleckchem | Product Catalog | N/A | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 449.832 |
| logP | 3.1982 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 80.13 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 105.3084 |
| Atoms | 50 |
| Rings | 4 |
| Heavy atoms | 30 |
| Hydrogen atoms | 20 |
| Heteroatoms | 13 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 5 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
