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UNKNOWN STEREO
MCULE-5509729271-0
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 | 12 USD | 98 | 22 working days | Get Quote |
| 5 mg | 20 USD | 98 | 20 working days | Get Quote |
| 10 mg | 33 USD | 98 | 20 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5509729271-0.sdf |
| SMILES | MCULE-5509729271-0.smiles |
| Standard InChI | MCULE-5509729271-0.inchi |
| InChIKey | MCULE-5509729271-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867534007 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875688180 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-505394142 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-590396481 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-606896176 | AmBeed | In stock | N/A | As is | in stock |
| P-596925764 | Angene | Building Blocks in stock | 98 | As is | 100 mg |
| P-864126285 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-860798070 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
| P-505546819 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-869124576 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892290404 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-888638307 | TargetMol | Screening Compounds - stock amount | 95 | As is | 133 mg |
| P-611357008 | Toronto Research | In stock | 90 | As is | in stock |
| P-886927821 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 462.544 |
| logP | 3.0225 |
| H-bond acceptors | 9 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 92.71 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 136.8332 |
| Atoms | 64 |
| Rings | 5 |
| Heavy atoms | 34 |
| Hydrogen atoms | 30 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
