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UNKNOWN STEREO
MCULE-2368532812-1
Structure
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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 | 45 USD | 99 | 19 working days | Get Quote |
| 5 mg | 45 USD | 99 | 19 working days | Get Quote |
| 10 mg | 49 USD | 95 | 37 working days | Get Quote |
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MCULE-5280578115-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2368532812-1.sdf |
| SMILES | MCULE-2368532812-1.smiles |
| Standard InChI | MCULE-2368532812-1.inchi |
| InChIKey | MCULE-2368532812-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875854038 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
| P-869192129 | AK Scientific | Building Blocks | 98 | As a main component | in stock |
| P-535622598 | AK Scientific | Building Blocks | 99 | As a main component | in stock |
| P-864150135 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
| P-888639469 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
| P-869126013 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
| P-611491611 | Toronto Research | In stock | 90 | As a main component | in stock |
| P-480233529 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 557.630 |
| logP | 5.0519 |
| H-bond acceptors | 7 |
| H-bond donors | 3 |
| Rotatable bonds | 13 |
| PSA | 114.62 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 156.3133 |
| Atoms | 75 |
| Rings | 4 |
| Heavy atoms | 41 |
| Hydrogen atoms | 34 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
