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MCULE-5417216011
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 | 180 USD | 95 | 25 working days | Get Quote |
| 5 mg | 180 USD | 95 | 25 working days | Get Quote |
| 10 mg | 180 USD | 95 | 25 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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| Name | File |
|---|---|
| SDF | MCULE-5417216011.sdf |
| SMILES | MCULE-5417216011.smiles |
| Standard InChI | MCULE-5417216011.inchi |
| InChIKey | MCULE-5417216011.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886690192 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-889991648 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-869357273 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851835474 | AmBeed | On request | N/A | As is | by synthesis |
| P-889835171 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-611147711 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-854877148 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-611393826 | Toronto Research | In stock | 90 | As is | in stock |
| P-893733934 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 191.269 |
| logP | 2.0368 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 32.26 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 57.4515 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 17 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
