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MCULE-2580029004
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 | 8 USD | 97 | 22 working days | Get Quote |
| 5 mg | 8 USD | 97 | 22 working days | Get Quote |
| 10 mg | 8 USD | 97 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-2580029004.sdf |
| SMILES | MCULE-2580029004.smiles |
| Standard InChI | MCULE-2580029004.inchi |
| InChIKey | MCULE-2580029004.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886576215 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-590415356 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-893555081 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 570.844 g |
| P-606908550 | AmBeed | In stock | N/A | As is | in stock |
| P-895956893 | Apollo Scientific | In Stock | 95 | As is | 4.75 g |
| P-864139373 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-524180942 | Key Organics | Building Blocks | 95 | As is | 100 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 790.771 |
| logP | 5.659 |
| H-bond acceptors | 12 |
| H-bond donors | 6 |
| Rotatable bonds | 8 |
| PSA | 205.5 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 231.3066 |
| Atoms | 90 |
| Rings | 9 |
| Heavy atoms | 60 |
| Hydrogen atoms | 30 |
| Heteroatoms | 12 |
| N/O atoms | 12 |
| 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 | 8 |
| Cis/trans stereo double bonds | 4 |
| Unknown stereo double bonds | 4 |
| Undefined stereo double bonds | 0 |
