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MCULE-5888291852
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 | 100 USD | 95 | 25 working days | Get Quote |
| 5 mg | 100 USD | 95 | 25 working days | Get Quote |
| 10 mg | 100 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-5888291852.sdf |
| SMILES | MCULE-5888291852.smiles |
| Standard InChI | MCULE-5888291852.inchi |
| InChIKey | MCULE-5888291852.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886662037 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-889964934 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-869254047 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851699126 | AmBeed | On request | N/A | As is | by synthesis |
| P-889817189 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-611065462 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-861400074 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-854845370 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-611611328 | Toronto Research | In stock | 90 | As is | in stock |
| P-893757812 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 229.727 |
| logP | 3.0473 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 54.4 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 62.0787 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 12 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
